a tool for identifying drug-targetable redox-active disulphides

Cyclin-dependent kinase inhibitor 1

Intermolecular

Cysteine 78 of Cyclin-dependent kinase 4 and cysteine 41 L

A redox-regulated disulphide may form between cysteine 78 of Cyclin-dependent kinase 4 and cysteine 41 of Cyclin-dependent kinase inhibitor 1 (75 and 41 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

54

PDB code

Structure name

crystal structure of cdk4 in complex with cyclind1 and p21

Structure deposition date

2019-06-07

Thiol separation (Å)

6

Half-sphere exposure sum ?

75

Minimum pK_a ?

10

% buried

72

Peptide A name

Cyclin-dependent kinase 4

Peptide B name

Cyclin-dependent kinase inhibitor 1

Peptide A accession

Peptide B accession

Peptide A residue number

78

Peptide B residue number

41

Ligandability

Cysteine 78 of Cyclin-dependent kinase 4

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.

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 41 of Cyclin-dependent kinase inhibitor 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.

Ligandable in the dataset of Kuljanin et al.

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