ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Serine/threonine-protein kinase PAK 3

Intramolecular
Cysteine 383 and cysteine 514
Cysteine 383 and cysteine 386
A redox-regulated disulphide may form within Serine/threonine-protein kinase PAK 3 between cysteines 383 and 514. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6fd3
Structure name
thiophosphorylated pak3 kinase domain
Structure deposition date
2017-12-21
Thiol separation (Å)
7
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
100
Peptide accession
O75914
Residue number A
383
Residue number B
514
Peptide name
Serine/threonine-protein kinase PAK 3

Ligandability

Cysteine 383 of Serine/threonine-protein kinase PAK 3

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 514 of Serine/threonine-protein kinase PAK 3

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 PAK 3 between cysteines 383 and 386. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
6fd3
Structure name
thiophosphorylated pak3 kinase domain
Structure deposition date
2017-12-21
Thiol separation (Å)
7
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
100
Peptide accession
O75914
Residue number A
383
Residue number B
386
Peptide name
Serine/threonine-protein kinase PAK 3

Ligandability

Cysteine 383 of Serine/threonine-protein kinase PAK 3

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 386 of Serine/threonine-protein kinase PAK 3

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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