ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Intramolecular
Cysteine 774 and cysteine 784
Cysteine 568 and cysteine 651
Cysteine 566 and cysteine 666
Cysteine 108 and cysteine 138
Cysteine 80 and cysteine 86
Cysteine 157 and cysteine 351
Cysteine 59 and cysteine 76
Cysteine 413 and cysteine 805
Cysteine 366 and cysteine 468
Cysteine 103 and cysteine 120
More...
Cysteine 124 and cysteine 130
Cysteine 149 and cysteine 195
Cysteine 73 and cysteine 86
Cysteine 62 and cysteine 93
Cysteine 118 and cysteine 131
Cysteine 58 and cysteine 86
Cysteine 75 and cysteine 86
Cysteine 103 and cysteine 131
Cysteine 73 and cysteine 75
Cysteine 102 and cysteine 137
Cysteine 59 and cysteine 94
Cysteine 58 and cysteine 73
Cysteine 120 and cysteine 131
Cysteine 119 and cysteine 137
Cysteine 59 and cysteine 63
Cysteine 86 and cysteine 87
Cysteine 103 and cysteine 108
Cysteine 75 and cysteine 93
Cysteine 58 and cysteine 79
Cysteine 103 and cysteine 118
Cysteine 62 and cysteine 75
Cysteine 103 and cysteine 124
Cysteine 107 and cysteine 119
Cysteine 58 and cysteine 85
Cysteine 117 and cysteine 119
Cysteine 120 and cysteine 124
Cysteine 75 and cysteine 79
Cysteine 103 and cysteine 130
Cysteine 75 and cysteine 85
Cysteine 80 and cysteine 87
A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 774 and 784 (770 and 780 respectively in this structure).

Details

Redox score ?
88
PDB code
3wav
Structure name
crystal structure of autotaxin in complex with compound 10
Structure deposition date
2013-05-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
774
Residue number B
784
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 774 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 784 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 568 and 651 (568 and 647 respectively in this structure).

Details

Redox score ?
86
PDB code
3nkq
Structure name
crystal structure of mouse autotaxin in complex with 18:3-lpa
Structure deposition date
2010-06-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
568
Residue number B
651
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 568 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 651 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 566 and 666 (566 and 662 respectively in this structure).

Details

Redox score ?
86
PDB code
5hrt
Structure name
crystal structure of mouse autotaxin in complex with a dna aptamer
Structure deposition date
2016-01-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
566
Residue number B
666
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 566 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 666 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 108 and 138.

Details

Redox score ?
86
PDB code
5kxa
Structure name
selective inhibition of autotaxin is effective in mouse models of liver fibrosis
Structure deposition date
2016-07-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
108
Residue number B
138
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 108 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 138 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 80 and 86.

Details

Redox score ?
86
PDB code
5mhp
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
80
Residue number B
86
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 80 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 86 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 157 and 351.

Details

Redox score ?
85
PDB code
5m7m
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-10-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
157
Residue number B
351
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 157 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 351 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 59 and 76.

Details

Redox score ?
85
PDB code
5mhp
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
59
Residue number B
76
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 59 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 76 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 413 and 805 (413 and 801 respectively in this structure).

Details

Redox score ?
85
PDB code
3wax
Structure name
crystal structure of autotaxin in complex with 3boa
Structure deposition date
2013-05-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
413
Residue number B
805
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 413 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 805 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 366 and 468.

Details

Redox score ?
85
PDB code
5s9m
Structure name
autotaxin, (3,5-dichlorophenyl)methyl (3as,8ar)-2-(1h-benzotriazole-5- carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-6- carboxylate, 1
Structure deposition date
2021-03-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q64610
Residue number A
366
Residue number B
468
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 366 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 468 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 103 and 120.

Details

Redox score ?
85
PDB code
5mhp
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-11-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
103
Residue number B
120
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 103 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 120 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 124 and 130.

Details

Redox score ?
84
PDB code
5kxa
Structure name
selective inhibition of autotaxin is effective in mouse models of liver fibrosis
Structure deposition date
2016-07-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
124
Residue number B
130
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 124 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 130 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 149 and 195.

Details

Redox score ?
84
PDB code
5kxa
Structure name
selective inhibition of autotaxin is effective in mouse models of liver fibrosis
Structure deposition date
2016-07-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
149
Residue number B
195
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 149 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 195 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 73 and 86.

Details

Redox score ?
83
PDB code
3wav
Structure name
crystal structure of autotaxin in complex with compound 10
Structure deposition date
2013-05-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
73
Residue number B
86
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 73 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 86 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 62 and 93.

Details

Redox score ?
83
PDB code
3wax
Structure name
crystal structure of autotaxin in complex with 3boa
Structure deposition date
2013-05-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
62
Residue number B
93
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 62 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 93 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 118 and 131.

Details

Redox score ?
78
PDB code
5kxa
Structure name
selective inhibition of autotaxin is effective in mouse models of liver fibrosis
Structure deposition date
2016-07-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
118
Residue number B
131
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 118 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 131 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 58 and 86.

Details

Redox score ?
76
PDB code
5hrt
Structure name
crystal structure of mouse autotaxin in complex with a dna aptamer
Structure deposition date
2016-01-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
58
Residue number B
86
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 58 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 86 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 75 and 86.

Details

Redox score ?
74
PDB code
5s9l
Structure name
autotaxin, 4-[3-oxo-3-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]- piperazine-1-carboxylic acid 3,5-dichloro-benzyl ester, 1
Structure deposition date
2021-03-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q64610
Residue number A
75
Residue number B
86
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 75 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 86 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 103 and 131.

Details

Redox score ?
72
PDB code
5m7m
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-10-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
103
Residue number B
131
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 103 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 131 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 73 and 75.

Details

Redox score ?
71
PDB code
5s9m
Structure name
autotaxin, (3,5-dichlorophenyl)methyl (3as,8ar)-2-(1h-benzotriazole-5- carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-6- carboxylate, 1
Structure deposition date
2021-03-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q64610
Residue number A
73
Residue number B
75
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 73 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 75 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 102 and 137.

Details

Redox score ?
70
PDB code
7p4o
Structure name
crystal structure of autotaxin and 9(r)-delta6a,10a-thc
Structure deposition date
2021-07-12
Thiol separation (Å)
5
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q64610
Residue number A
102
Residue number B
137
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 102 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 137 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 59 and 94.

Details

Redox score ?
70
PDB code
5mhp
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-11-25
Thiol separation (Å)
5
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
59
Residue number B
94
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 59 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 94 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 58 and 73.

Details

Redox score ?
67
PDB code
7mfh
Structure name
crystal structure of bio-32546 bound mouse autotaxin
Structure deposition date
2021-04-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
58
Residue number B
73
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 58 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 73 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 120 and 131.

Details

Redox score ?
65
PDB code
5m7m
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-10-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
120
Residue number B
131
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 120 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 131 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 119 and 137.

Details

Redox score ?
65
PDB code
3way
Structure name
crystal structure of autotaxin in complex with 4boa
Structure deposition date
2013-05-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
119
Residue number B
137
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 119 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 137 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 59 and 63.

Details

Redox score ?
65
PDB code
5mhp
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-11-25
Thiol separation (Å)
6
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
59
Residue number B
63
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 59 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 63 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 86 and 87.

Details

Redox score ?
64
PDB code
5m7m
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-10-28
Thiol separation (Å)
6
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
86
Residue number B
87
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 86 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 87 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 103 and 108.

Details

Redox score ?
63
PDB code
5mhp
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-11-25
Thiol separation (Å)
6
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
103
Residue number B
108
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 103 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 108 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 75 and 93.

Details

Redox score ?
63
PDB code
5m0e
Structure name
structure-based evolution of a hybrid steroid series of autotaxin inhibitors
Structure deposition date
2016-10-04
Thiol separation (Å)
5
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q64610
Residue number A
75
Residue number B
93
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 75 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 93 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 58 and 79.

Details

Redox score ?
62
PDB code
7mfh
Structure name
crystal structure of bio-32546 bound mouse autotaxin
Structure deposition date
2021-04-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
58
Residue number B
79
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 58 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 79 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 103 and 118.

Details

Redox score ?
62
PDB code
5mhp
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-11-25
Thiol separation (Å)
6
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
103
Residue number B
118
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 103 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 118 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 62 and 75. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
5hrt
Structure name
crystal structure of mouse autotaxin in complex with a dna aptamer
Structure deposition date
2016-01-24
Thiol separation (Å)
6
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
62
Residue number B
75
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 62 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 75 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 103 and 124. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
5kxa
Structure name
selective inhibition of autotaxin is effective in mouse models of liver fibrosis
Structure deposition date
2016-07-20
Thiol separation (Å)
7
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
103
Residue number B
124
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 103 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 124 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 107 and 119. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
5lqq
Structure name
structure of autotaxin (enpp2) with lm350
Structure deposition date
2016-08-17
Thiol separation (Å)
6
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q64610
Residue number A
107
Residue number B
119
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 107 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 119 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 58 and 85. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
7mfh
Structure name
crystal structure of bio-32546 bound mouse autotaxin
Structure deposition date
2021-04-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
58
Residue number B
85
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 58 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 85 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 117 and 119. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
5inh
Structure name
crystal structure of autotaxin/enpp2 with a covalent fragment
Structure deposition date
2016-03-07
Thiol separation (Å)
6
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1E6
Residue number A
117
Residue number B
119
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 117 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 119 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 120 and 124. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
5mhp
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-11-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
120
Residue number B
124
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 120 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 124 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 75 and 79. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
5m0e
Structure name
structure-based evolution of a hybrid steroid series of autotaxin inhibitors
Structure deposition date
2016-10-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q64610
Residue number A
75
Residue number B
79
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 75 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 79 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 103 and 130. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
5m7m
Structure name
novel imidazo[1,2-a]pyridine derivatives with potent autotaxin/enpp2 inhibitor activity
Structure deposition date
2016-10-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
103
Residue number B
130
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 103 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 130 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 75 and 85. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
5m0e
Structure name
structure-based evolution of a hybrid steroid series of autotaxin inhibitors
Structure deposition date
2016-10-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q64610
Residue number A
75
Residue number B
85
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 75 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 85 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 between cysteines 80 and 87. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
5kxa
Structure name
selective inhibition of autotaxin is effective in mouse models of liver fibrosis
Structure deposition date
2016-07-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13822
Residue number A
80
Residue number B
87
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligandability

Cysteine 80 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 87 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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