ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ectonucleotide pyrophosphatase/phosphodiesterase 1

Intramolecular
Cysteine 607 and cysteine 706
Cysteine 609 and cysteine 691
Cysteine 818 and cysteine 828
Cysteine 413 and cysteine 512
Cysteine 462 and cysteine 848
Cysteine 596 and cysteine 652
Cysteine 185 and cysteine 397
Cysteine 177 and cysteine 223
Cysteine 607 and cysteine 609
Cysteine 609 and cysteine 706
More...
Cysteine 607 and cysteine 691
Cysteine 691 and cysteine 706
A redox-regulated disulphide may form within Ectonucleotide pyrophosphatase/phosphodiesterase 1 between cysteines 607 and 706.

Details

Redox score ?
90
PDB code
6xkd
Structure name
structure of ligand-bound mouse cgamp hydrolase enpp1
Structure deposition date
2020-06-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
607
Residue number B
706
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 607 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 706 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 609 and 691.

Details

Redox score ?
87
PDB code
4gtx
Structure name
crystal structure of mouse enpp1 in complex with tmp
Structure deposition date
2012-08-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
38
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
609
Residue number B
691
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 609 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 691 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 818 and 828.

Details

Redox score ?
86
PDB code
4gtx
Structure name
crystal structure of mouse enpp1 in complex with tmp
Structure deposition date
2012-08-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
818
Residue number B
828
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 818 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 828 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 413 and 512.

Details

Redox score ?
86
PDB code
6ael
Structure name
crystal structure of enpp1 in complex with 3'3'-cgamp
Structure deposition date
2018-08-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
413
Residue number B
512
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 413 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 512 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 462 and 848.

Details

Redox score ?
85
PDB code
4gtz
Structure name
crystal structure of mouse enpp1 in complex with cmp
Structure deposition date
2012-08-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
462
Residue number B
848
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 462 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 848 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 596 and 652.

Details

Redox score ?
84
PDB code
4gtx
Structure name
crystal structure of mouse enpp1 in complex with tmp
Structure deposition date
2012-08-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
596
Residue number B
652
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 596 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 652 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 185 and 397.

Details

Redox score ?
84
PDB code
4gtz
Structure name
crystal structure of mouse enpp1 in complex with cmp
Structure deposition date
2012-08-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
185
Residue number B
397
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 185 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 397 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 177 and 223.

Details

Redox score ?
80
PDB code
4gtx
Structure name
crystal structure of mouse enpp1 in complex with tmp
Structure deposition date
2012-08-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
177
Residue number B
223
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 177 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 223 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 607 and 609.

Details

Redox score ?
76
PDB code
6xkd
Structure name
structure of ligand-bound mouse cgamp hydrolase enpp1
Structure deposition date
2020-06-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
607
Residue number B
609
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 607 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 609 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 609 and 706.

Details

Redox score ?
67
PDB code
6xkd
Structure name
structure of ligand-bound mouse cgamp hydrolase enpp1
Structure deposition date
2020-06-26
Thiol separation (Å)
6
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
609
Residue number B
706
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 609 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 706 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 607 and 691. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
4gtw
Structure name
crystal structure of mouse enpp1 in complex with amp
Structure deposition date
2012-08-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
47
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
607
Residue number B
691
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 607 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 691 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 1 between cysteines 691 and 706. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
4gtx
Structure name
crystal structure of mouse enpp1 in complex with tmp
Structure deposition date
2012-08-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
G3X9S2
Residue number A
691
Residue number B
706
Peptide name
Ectonucleotide pyrophosphatase/phosphodiesterase 1

Ligandability

Cysteine 691 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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 706 of Ectonucleotide pyrophosphatase/phosphodiesterase 1

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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