ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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BRISC and BRCA1-A complex member 1

Intermolecular
Cysteine 307 of BRISC and BRCA1-A complex member 2 and cysteine 298
Intramolecular
Cysteine 167 and cysteine 169
A redox-regulated disulphide may form between cysteine 307 of BRISC and BRCA1-A complex member 2 and cysteine 298 of BRISC and BRCA1-A complex member 1. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
6gvw
Structure name
crystal structure of the brca1-a complex
Structure deposition date
2018-06-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
95
Peptide A name
BRISC and BRCA1-A complex member 2
Peptide B name
BRISC and BRCA1-A complex member 1
Peptide A accession
Q8K3W0
Peptide B accession
Q3UI43
Peptide A residue number
307
Peptide B residue number
298

Ligandability

Cysteine 307 of BRISC and BRCA1-A complex member 2

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 298 of BRISC and BRCA1-A complex member 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 BRISC and BRCA1-A complex member 1 between cysteines 167 and 169. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6h3c
Structure name
cryo-em structure of the brisc complex bound to shmt2
Structure deposition date
2018-07-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
59
Peptide accession
Q9NWV8
Residue number A
167
Residue number B
169
Peptide name
BRISC and BRCA1-A complex member 1

Ligandability

Cysteine 167 of BRISC and BRCA1-A complex member 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 169 of BRISC and BRCA1-A complex member 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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