ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Trifunctional purine biosynthetic protein adenosine-3

Intermolecular
Cysteine 62 and cysteine 322
Intramolecular
Cysteine 559 and cysteine 564
Cysteine 134 and cysteine 168
Cysteine 520 and cysteine 564
Cysteine 62 and cysteine 93
Cysteine 520 and cysteine 559
Cysteine 200 and cysteine 202
Cysteine 200 and cysteine 237 L
A redox-regulated disulphide may form between two units of Trifunctional purine biosynthetic protein adenosine-3 at cysteines 62 and 322. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
2qk4
Structure name
human glycinamide ribonucleotide synthetase
Structure deposition date
2007-07-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
64
Peptide A name
Trifunctional purine biosynthetic protein adenosine-3
Peptide B name
Trifunctional purine biosynthetic protein adenosine-3
Peptide A accession
P22102
Peptide B accession
P22102
Peptide A residue number
62
Peptide B residue number
322

Ligandability

Cysteine 62 of Trifunctional purine biosynthetic protein adenosine-3

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 322 of Trifunctional purine biosynthetic protein adenosine-3

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 Trifunctional purine biosynthetic protein adenosine-3 between cysteines 559 and 564.

Details

Redox score ?
75
PDB code
2v9y
Structure name
human aminoimidazole ribonucleotide synthetase
Structure deposition date
2007-08-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
8
% buried
66
Peptide accession
P22102
Residue number A
559
Residue number B
564
Peptide name
Trifunctional purine biosynthetic protein adenosine-3

Ligandability

Cysteine 559 of Trifunctional purine biosynthetic protein adenosine-3

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 564 of Trifunctional purine biosynthetic protein adenosine-3

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 Trifunctional purine biosynthetic protein adenosine-3 between cysteines 134 and 168.

Details

Redox score ?
74
PDB code
2qk4
Structure name
human glycinamide ribonucleotide synthetase
Structure deposition date
2007-07-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
16
Peptide accession
P22102
Residue number A
134
Residue number B
168
Peptide name
Trifunctional purine biosynthetic protein adenosine-3

Ligandability

Cysteine 134 of Trifunctional purine biosynthetic protein adenosine-3

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 168 of Trifunctional purine biosynthetic protein adenosine-3

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 Trifunctional purine biosynthetic protein adenosine-3 between cysteines 520 and 564. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
2v9y
Structure name
human aminoimidazole ribonucleotide synthetase
Structure deposition date
2007-08-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
83
Minimum pKa ?
8
% buried
80
Peptide accession
P22102
Residue number A
520
Residue number B
564
Peptide name
Trifunctional purine biosynthetic protein adenosine-3

Ligandability

Cysteine 520 of Trifunctional purine biosynthetic protein adenosine-3

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 564 of Trifunctional purine biosynthetic protein adenosine-3

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 Trifunctional purine biosynthetic protein adenosine-3 between cysteines 62 and 93. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
2qk4
Structure name
human glycinamide ribonucleotide synthetase
Structure deposition date
2007-07-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
89
Peptide accession
P22102
Residue number A
62
Residue number B
93
Peptide name
Trifunctional purine biosynthetic protein adenosine-3

Ligandability

Cysteine 62 of Trifunctional purine biosynthetic protein adenosine-3

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 Trifunctional purine biosynthetic protein adenosine-3

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 Trifunctional purine biosynthetic protein adenosine-3 between cysteines 520 and 559. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
2v9y
Structure name
human aminoimidazole ribonucleotide synthetase
Structure deposition date
2007-08-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
75
Peptide accession
P22102
Residue number A
520
Residue number B
559
Peptide name
Trifunctional purine biosynthetic protein adenosine-3

Ligandability

Cysteine 520 of Trifunctional purine biosynthetic protein adenosine-3

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 559 of Trifunctional purine biosynthetic protein adenosine-3

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 Trifunctional purine biosynthetic protein adenosine-3 between cysteines 200 and 202. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
2qk4
Structure name
human glycinamide ribonucleotide synthetase
Structure deposition date
2007-07-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
99
Minimum pKa ?
12
% buried
100
Peptide accession
P22102
Residue number A
200
Residue number B
202
Peptide name
Trifunctional purine biosynthetic protein adenosine-3

Ligandability

Cysteine 200 of Trifunctional purine biosynthetic protein adenosine-3

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 202 of Trifunctional purine biosynthetic protein adenosine-3

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 Trifunctional purine biosynthetic protein adenosine-3 between cysteines 200 and 237. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
22
PDB code
2qk4
Structure name
human glycinamide ribonucleotide synthetase
Structure deposition date
2007-07-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
100
Minimum pKa ?
13
% buried
100
Peptide accession
P22102
Residue number A
200
Residue number B
237
Peptide name
Trifunctional purine biosynthetic protein adenosine-3

Ligandability

Cysteine 200 of Trifunctional purine biosynthetic protein adenosine-3

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 237 of Trifunctional purine biosynthetic protein adenosine-3

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.

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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