ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cyclin-dependent kinase 9

Intramolecular
Cysteine 10 and cysteine 13
Cysteine 13 and cysteine 85
Cysteine 10 and cysteine 85
Cysteine 217 and cysteine 245
A redox-regulated disulphide may form within Cyclin-dependent kinase 9 between cysteines 10 and 13.

Details

Redox score ?
72
PDB code
3blq
Structure name
crystal structure of human cdk9/cyclint1 in complex with atp
Structure deposition date
2007-12-11
Thiol separation (Å)
5
Half-sphere exposure sum ?
54
Minimum pKa ?
10
% buried
54
Peptide accession
P50750
Residue number A
10
Residue number B
13
Peptide name
Cyclin-dependent kinase 9

Ligandability

Cysteine 10 of Cyclin-dependent kinase 9

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 13 of Cyclin-dependent kinase 9

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 Cyclin-dependent kinase 9 between cysteines 13 and 85. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
3my1
Structure name
structure of cdk9/cyclint1 in complex with drb
Structure deposition date
2010-05-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
13
% buried
70
Peptide accession
P50750
Residue number A
13
Residue number B
85
Peptide name
Cyclin-dependent kinase 9

Ligandability

Cysteine 13 of Cyclin-dependent kinase 9

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 85 of Cyclin-dependent kinase 9

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 Cyclin-dependent kinase 9 between cysteines 10 and 85. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6w9e
Structure name
crystal structure of human cdk9/cyclint1 in complex with mc180295
Structure deposition date
2020-03-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
6
% buried
59
Peptide accession
P50750
Residue number A
10
Residue number B
85
Peptide name
Cyclin-dependent kinase 9

Ligandability

Cysteine 10 of Cyclin-dependent kinase 9

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 85 of Cyclin-dependent kinase 9

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 Cyclin-dependent kinase 9 between cysteines 217 and 245. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
3lq5
Structure name
structure of cdk9/cyclint in complex with s-cr8
Structure deposition date
2010-02-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
12
% buried
100
Peptide accession
P50750
Residue number A
217
Residue number B
245
Peptide name
Cyclin-dependent kinase 9

Ligandability

Cysteine 217 of Cyclin-dependent kinase 9

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 245 of Cyclin-dependent kinase 9

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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