a tool for identifying drug-targetable redox-active disulphides

Claspin

Intermolecular

Cysteine 57 of Serine/threonine-protein kinase Chk1 and cysteine 944

A redox-regulated disulphide may form between cysteine 57 of Serine/threonine-protein kinase Chk1 and cysteine 944 of Claspin.

Details

Redox score ?

66

PDB code

Structure name

crystal structure of chk1 kinase domain in complex with a claspin phosphopeptide

Structure deposition date

2020-10-01

Thiol separation (Å)

6

Half-sphere exposure sum ?

nan

Minimum pK_a ?

8

% buried

72

Peptide A name

Serine/threonine-protein kinase Chk1

Peptide B name

Claspin

Peptide A accession

Peptide B accession

Peptide A residue number

57

Peptide B residue number

944

Ligandability

Cysteine 57 of Serine/threonine-protein kinase Chk1

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 944 of Claspin

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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