ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Serine/threonine-protein kinase VRK1

Intermolecular
Cysteine 220 and cysteine 220
Intramolecular
Cysteine 205 and cysteine 220
A redox-regulated disulphide may form between two units of Serine/threonine-protein kinase VRK1 at cysteines 220 and 220.

Details

Redox score ?
72
PDB code
6ac9
Structure name
crystal structure of human vaccinia-related kinase 1 (vrk1) in complex with amp-pnp
Structure deposition date
2018-07-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
8
% buried
70
Peptide A name
Serine/threonine-protein kinase VRK1
Peptide B name
Serine/threonine-protein kinase VRK1
Peptide A accession
Q99986
Peptide B accession
Q99986
Peptide A residue number
220
Peptide B residue number
220

Ligandability

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 VRK1 between cysteines 205 and 220. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
2lav
Structure name
nmr solution structure of human vaccinia-related kinase 1
Structure deposition date
2011-03-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
30
Peptide accession
Q99986
Residue number A
205
Residue number B
220
Peptide name
Serine/threonine-protein kinase VRK1

Ligandability

Cysteine 205 of Serine/threonine-protein kinase VRK1

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 220 of Serine/threonine-protein kinase VRK1

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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