ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Serine/threonine-protein kinase MRCK alpha

Intramolecular
Cysteine 25 and cysteine 415
Cysteine 121 and cysteine 223
Cysteine 223 and cysteine 263
A redox-regulated disulphide may form within Serine/threonine-protein kinase MRCK alpha between cysteines 25 and 415. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4aw2
Structure name
crystal structure of cdc42 binding protein kinase alpha (mrck alpha)
Structure deposition date
2012-05-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
52
Minimum pKa ?
9
% buried
5
Peptide accession
O54874
Residue number A
25
Residue number B
415
Peptide name
Serine/threonine-protein kinase MRCK alpha

Ligandability

Cysteine 25 of Serine/threonine-protein kinase MRCK alpha

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 415 of Serine/threonine-protein kinase MRCK alpha

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 Serine/threonine-protein kinase MRCK alpha between cysteines 121 and 223. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
4aw2
Structure name
crystal structure of cdc42 binding protein kinase alpha (mrck alpha)
Structure deposition date
2012-05-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
71
Minimum pKa ?
11
% buried
86
Peptide accession
O54874
Residue number A
121
Residue number B
223
Peptide name
Serine/threonine-protein kinase MRCK alpha

Ligandability

Cysteine 121 of Serine/threonine-protein kinase MRCK alpha

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 223 of Serine/threonine-protein kinase MRCK alpha

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 Serine/threonine-protein kinase MRCK alpha between cysteines 223 and 263. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
21
PDB code
4aw2
Structure name
crystal structure of cdc42 binding protein kinase alpha (mrck alpha)
Structure deposition date
2012-05-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
84
Minimum pKa ?
14
% buried
100
Peptide accession
O54874
Residue number A
223
Residue number B
263
Peptide name
Serine/threonine-protein kinase MRCK alpha

Ligandability

Cysteine 223 of Serine/threonine-protein kinase MRCK alpha

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 263 of Serine/threonine-protein kinase MRCK alpha

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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