ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Selenide, water dikinase 1

Intramolecular
Cysteine 104 and cysteine 119
Cysteine 119 and cysteine 180
A redox-regulated disulphide may form within Selenide, water dikinase 1 between cysteines 104 and 119. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
3fd5
Structure name
crystal structure of human selenophosphate synthetase 1 complex with ampcp
Structure deposition date
2008-11-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
92
Minimum pKa ?
12
% buried
100
Peptide accession
P49903
Residue number A
104
Residue number B
119
Peptide name
Selenide, water dikinase 1

Ligandability

Cysteine 104 of Selenide, water dikinase 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 119 of Selenide, water dikinase 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 Selenide, water dikinase 1 between cysteines 119 and 180. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
3fd5
Structure name
crystal structure of human selenophosphate synthetase 1 complex with ampcp
Structure deposition date
2008-11-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
93
Peptide accession
P49903
Residue number A
119
Residue number B
180
Peptide name
Selenide, water dikinase 1

Ligandability

Cysteine 119 of Selenide, water dikinase 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 180 of Selenide, water dikinase 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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