ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Serine/threonine-protein kinase VRK2

Intramolecular
Cysteine 245 and cysteine 285
Cysteine 285 and cysteine 286
A redox-regulated disulphide may form within Serine/threonine-protein kinase VRK2 between cysteines 245 and 285.

Details

Redox score ?
81
PDB code
6ncg
Structure name
crystal structure of human vaccinia-related kinase 2 (vrk-2) bound to pyridin-benzenesulfonamide inhibitor
Structure deposition date
2018-12-11
Thiol separation (Å)
3
Half-sphere exposure sum ?
67
Minimum pKa ?
7
% buried
49
Peptide accession
Q86Y07
Residue number A
245
Residue number B
285
Peptide name
Serine/threonine-protein kinase VRK2

Ligandability

Cysteine 245 of Serine/threonine-protein kinase VRK2

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 285 of Serine/threonine-protein kinase VRK2

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 Serine/threonine-protein kinase VRK2 between cysteines 285 and 286. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6ncg
Structure name
crystal structure of human vaccinia-related kinase 2 (vrk-2) bound to pyridin-benzenesulfonamide inhibitor
Structure deposition date
2018-12-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
7
% buried
28
Peptide accession
Q86Y07
Residue number A
285
Residue number B
286
Peptide name
Serine/threonine-protein kinase VRK2

Ligandability

Cysteine 285 of Serine/threonine-protein kinase VRK2

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 286 of Serine/threonine-protein kinase VRK2

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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