ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Lys-63-specific deubiquitinase BRCC36

Intermolecular
Cysteine 156 and cysteine 14 of BRISC complex subunit Abraxas 2
Intramolecular
Cysteine 22 and cysteine 38
Cysteine 38 and cysteine 172
Cysteine 22 and cysteine 228
Cysteine 22 and cysteine 156
Cysteine 22 and cysteine 172
A redox-regulated disulphide may form between cysteine 156 of Lys-63-specific deubiquitinase BRCC36 and cysteine 14 of BRISC complex subunit Abraxas 2. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
6r8f
Structure name
cryo-em structure of the human brisc-shmt2 complex
Structure deposition date
2019-04-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
100
Peptide A name
Lys-63-specific deubiquitinase BRCC36
Peptide B name
BRISC complex subunit Abraxas 2
Peptide A accession
P46736
Peptide B accession
Q15018
Peptide A residue number
156
Peptide B residue number
14

Ligandability

Cysteine 156 of Lys-63-specific deubiquitinase BRCC36

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 14 of BRISC complex subunit Abraxas 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.

A redox-regulated disulphide may form within Lys-63-specific deubiquitinase BRCC36 between cysteines 22 and 38. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
6gvw
Structure name
crystal structure of the brca1-a complex
Structure deposition date
2018-06-21
Thiol separation (Å)
5
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
100
Peptide accession
P46737
Residue number A
22
Residue number B
38
Peptide name
Lys-63-specific deubiquitinase BRCC36

Ligandability

Cysteine 22 of Lys-63-specific deubiquitinase BRCC36

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 38 of Lys-63-specific deubiquitinase BRCC36

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 Lys-63-specific deubiquitinase BRCC36 between cysteines 38 and 172. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6gvw
Structure name
crystal structure of the brca1-a complex
Structure deposition date
2018-06-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
13
% buried
100
Peptide accession
P46737
Residue number A
38
Residue number B
172
Peptide name
Lys-63-specific deubiquitinase BRCC36

Ligandability

Cysteine 38 of Lys-63-specific deubiquitinase BRCC36

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 172 of Lys-63-specific deubiquitinase BRCC36

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 Lys-63-specific deubiquitinase BRCC36 between cysteines 22 and 228. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
6r8f
Structure name
cryo-em structure of the human brisc-shmt2 complex
Structure deposition date
2019-04-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
14
% buried
100
Peptide accession
P46736
Residue number A
22
Residue number B
228
Peptide name
Lys-63-specific deubiquitinase BRCC36

Ligandability

Cysteine 22 of Lys-63-specific deubiquitinase BRCC36

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 228 of Lys-63-specific deubiquitinase BRCC36

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 Lys-63-specific deubiquitinase BRCC36 between cysteines 22 and 156. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
6h3c
Structure name
cryo-em structure of the brisc complex bound to shmt2
Structure deposition date
2018-07-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
100
Peptide accession
P46736
Residue number A
22
Residue number B
156
Peptide name
Lys-63-specific deubiquitinase BRCC36

Ligandability

Cysteine 22 of Lys-63-specific deubiquitinase BRCC36

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 156 of Lys-63-specific deubiquitinase BRCC36

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 Lys-63-specific deubiquitinase BRCC36 between cysteines 22 and 172. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
6r8f
Structure name
cryo-em structure of the human brisc-shmt2 complex
Structure deposition date
2019-04-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
100
Peptide accession
P46736
Residue number A
22
Residue number B
172
Peptide name
Lys-63-specific deubiquitinase BRCC36

Ligandability

Cysteine 22 of Lys-63-specific deubiquitinase BRCC36

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 172 of Lys-63-specific deubiquitinase BRCC36

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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