ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Protein kinase C

Intramolecular
Cysteine 383 and cysteine 499
Cysteine 383 and cysteine 485
A redox-regulated disulphide may form within Protein kinase C between cysteines 383 and 499. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
4ra4
Structure name
crystal structure of human protein kinase c alpha in complex with compound 28 ((r)-6-((3s,4s)-1,3-dimethyl-piperidin-4-yl)-7-(2-fluoro- phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
Structure deposition date
2014-09-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
10
% buried
56
Peptide accession
L7RSM7
Residue number A
383
Residue number B
499
Peptide name
Protein kinase C

Ligandability

Cysteine 383 of Protein kinase C

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 499 of Protein kinase C

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 Protein kinase C between cysteines 383 and 485. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
4ra4
Structure name
crystal structure of human protein kinase c alpha in complex with compound 28 ((r)-6-((3s,4s)-1,3-dimethyl-piperidin-4-yl)-7-(2-fluoro- phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
Structure deposition date
2014-09-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
73
Peptide accession
L7RSM7
Residue number A
383
Residue number B
485
Peptide name
Protein kinase C

Ligandability

Cysteine 383 of Protein kinase C

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 485 of Protein kinase C

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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