ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cyclin-dependent kinase 4

Intermolecular
Cysteine 7 of G1/S-specific cyclin-D1 and cysteine 135 L
Cysteine 78 and cysteine 41 of Cyclin-dependent kinase inhibitor 1 L
Cysteine 8 of G1/S-specific cyclin-D1 and cysteine 135 L
Intramolecular
Cysteine 202 and cysteine 215
A redox-regulated disulphide may form between cysteine 7 of G1/S-specific cyclin-D1 and cysteine 135 of Cyclin-dependent kinase 4.

Details

Redox score ?
73
PDB code
2w96
Structure name
crystal structure of cdk4 in complex with a d-type cyclin
Structure deposition date
2009-01-21
Thiol separation (Å)
5
Half-sphere exposure sum ?
41
Minimum pKa ?
8
% buried
9
Peptide A name
G1/S-specific cyclin-D1
Peptide B name
Cyclin-dependent kinase 4
Peptide A accession
P24385
Peptide B accession
P11802
Peptide A residue number
7
Peptide B residue number
135

Ligandability

Cysteine 7 of G1/S-specific cyclin-D1

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 135 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.

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.

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
6p8h
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 pKa ?
10
% buried
72
Peptide A name
Cyclin-dependent kinase 4
Peptide B name
Cyclin-dependent kinase inhibitor 1
Peptide A accession
P11802
Peptide B accession
P38936
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.

A redox-regulated disulphide may form between cysteine 8 of G1/S-specific cyclin-D1 and cysteine 135 of Cyclin-dependent kinase 4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
2w96
Structure name
crystal structure of cdk4 in complex with a d-type cyclin
Structure deposition date
2009-01-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
46
Minimum pKa ?
9
% buried
14
Peptide A name
G1/S-specific cyclin-D1
Peptide B name
Cyclin-dependent kinase 4
Peptide A accession
P24385
Peptide B accession
P11802
Peptide A residue number
8
Peptide B residue number
135

Ligandability

Cysteine 8 of G1/S-specific cyclin-D1

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 135 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.

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.

A redox-regulated disulphide may form within Cyclin-dependent kinase 4 between cysteines 202 and 215 (199 and 212 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
6p8e
Structure name
crystal structure of cdk4 in complex with cyclind1 and p27
Structure deposition date
2019-06-07
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
62
Peptide accession
P11802
Residue number A
202
Residue number B
215
Peptide name
Cyclin-dependent kinase 4

Ligandability

Cysteine 202 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.

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 215 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.

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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