ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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G1/S-specific cyclin-D1

Intermolecular
Cysteine 7 and cysteine 135 of Cyclin-dependent kinase 4 L
Cysteine 8 and cysteine 135 of Cyclin-dependent kinase 4 L
Intramolecular
Cysteine 68 and cysteine 73
Cysteine 239 and cysteine 243
Cysteine 7 and cysteine 8
Cysteine 189 and cysteine 247
Cysteine 239 and cysteine 247
Cysteine 243 and cysteine 247
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 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 G1/S-specific cyclin-D1 between cysteines 68 and 73.

Details

Redox score ?
75
PDB code
2w9z
Structure name
crystal structure of cdk4 in complex with a d-type cyclin
Structure deposition date
2009-01-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
8
% buried
71
Peptide accession
P24385
Residue number A
68
Residue number B
73
Peptide name
G1/S-specific cyclin-D1

Ligandability

Cysteine 68 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 73 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.

A redox-regulated disulphide may form within G1/S-specific cyclin-D1 between cysteines 239 and 243.

Details

Redox score ?
69
PDB code
6p8f
Structure name
crystal structure of cdk4 in complex with cyclind1 and p27
Structure deposition date
2019-06-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
45
Minimum pKa ?
9
% buried
16
Peptide accession
P24385
Residue number A
239
Residue number B
243
Peptide name
G1/S-specific cyclin-D1

Ligandability

Cysteine 239 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 243 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.

A redox-regulated disulphide may form within G1/S-specific cyclin-D1 between cysteines 7 and 8. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
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)
8
Half-sphere exposure sum ?
39
Minimum pKa ?
8
% buried
4
Peptide accession
P24385
Residue number A
7
Residue number B
8
Peptide name
G1/S-specific cyclin-D1

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 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.

A redox-regulated disulphide may form within G1/S-specific cyclin-D1 between cysteines 189 and 247. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
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)
6
Half-sphere exposure sum ?
82
Minimum pKa ?
10
% buried
86
Peptide accession
P24385
Residue number A
189
Residue number B
247
Peptide name
G1/S-specific cyclin-D1

Ligandability

Cysteine 189 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 247 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.

A redox-regulated disulphide may form within G1/S-specific cyclin-D1 between cysteines 239 and 247. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
2w99
Structure name
crystal structure of cdk4 in complex with a d-type cyclin
Structure deposition date
2009-01-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
60
Peptide accession
P24385
Residue number A
239
Residue number B
247
Peptide name
G1/S-specific cyclin-D1

Ligandability

Cysteine 239 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 247 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.

A redox-regulated disulphide may form within G1/S-specific cyclin-D1 between cysteines 243 and 247. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
2w99
Structure name
crystal structure of cdk4 in complex with a d-type cyclin
Structure deposition date
2009-01-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
40
Peptide accession
P24385
Residue number A
243
Residue number B
247
Peptide name
G1/S-specific cyclin-D1

Ligandability

Cysteine 243 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 247 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.

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