ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2

Intramolecular
Cysteine 43 and cysteine 117
Cysteine 73 and cysteine 117
Cysteine 43 and cysteine 73
A redox-regulated disulphide may form within Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2 between cysteines 43 and 117 (53 and 127 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
2ax4
Structure name
crystal structure of the kinase domain of human 3'- phosphoadenosine 5'-phosphosulphate synthetase 2
Structure deposition date
2005-09-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
O95340
Residue number A
43
Residue number B
117
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2

Ligandability

Cysteine 43 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 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 117 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 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 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2 between cysteines 73 and 117 (83 and 127 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
2ax4
Structure name
crystal structure of the kinase domain of human 3'- phosphoadenosine 5'-phosphosulphate synthetase 2
Structure deposition date
2005-09-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
95
Minimum pKa ?
13
% buried
100
Peptide accession
O95340
Residue number A
73
Residue number B
117
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2

Ligandability

Cysteine 73 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 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 117 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 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 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2 between cysteines 43 and 73 (53 and 83 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
2ax4
Structure name
crystal structure of the kinase domain of human 3'- phosphoadenosine 5'-phosphosulphate synthetase 2
Structure deposition date
2005-09-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
100
Peptide accession
O95340
Residue number A
43
Residue number B
73
Peptide name
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2

Ligandability

Cysteine 43 of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 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 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 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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