ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Rho-associated protein kinase 1

Intramolecular
Cysteine 231 and cysteine 259
Cysteine 220 and cysteine 231
Cysteine 220 and cysteine 259
A redox-regulated disulphide may form within Rho-associated protein kinase 1 between cysteines 231 and 259. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5wne
Structure name
x-ray co-structure of rho-associated protein kinase (rock1) with a highly selective inhibitor
Structure deposition date
2017-07-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
8
% buried
64
Peptide accession
Q13464
Residue number A
231
Residue number B
259
Peptide name
Rho-associated protein kinase 1

Ligandability

Cysteine 231 of Rho-associated protein kinase 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.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 259 of Rho-associated protein kinase 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.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Rho-associated protein kinase 1 between cysteines 220 and 231. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
3twj
Structure name
rho-associated protein kinase 1 (rock 1) in complex with rki1447
Structure deposition date
2011-09-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
76
Peptide accession
Q13464
Residue number A
220
Residue number B
231
Peptide name
Rho-associated protein kinase 1

Ligandability

Cysteine 220 of Rho-associated protein kinase 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.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 231 of Rho-associated protein kinase 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.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Rho-associated protein kinase 1 between cysteines 220 and 259. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
2esm
Structure name
crystal structure of rock 1 bound to fasudil
Structure deposition date
2005-10-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
14
% buried
100
Peptide accession
Q13464
Residue number A
220
Residue number B
259
Peptide name
Rho-associated protein kinase 1

Ligandability

Cysteine 220 of Rho-associated protein kinase 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.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 259 of Rho-associated protein kinase 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.

Not ligandable in the dataset of Kuljanin et al.

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