ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ubiquitin-conjugating enzyme E2 S

Intermolecular
Cysteine 95 and cysteine 229 of Polyubiquitin-B
Cysteine 118 and cysteine 118 L
A redox-regulated disulphide may form between cysteine 95 of Ubiquitin-conjugating enzyme E2 S and cysteine 229 of Polyubiquitin-B (95 and 76 respectively in this structure).

Details

Redox score ?
88
PDB code
5bnb
Structure name
crystal structure of a ube2s-ubiquitin conjugate
Structure deposition date
2015-05-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Ubiquitin-conjugating enzyme E2 S
Peptide B name
Polyubiquitin-B
Peptide A accession
Q16763
Peptide B accession
P0CG47
Peptide A residue number
95
Peptide B residue number
229

Ligandability

Cysteine 95 of Ubiquitin-conjugating enzyme E2 S

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 229 of Polyubiquitin-B

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 between two units of Ubiquitin-conjugating enzyme E2 S at cysteines 118 and 118.

Details

Redox score ?
66
PDB code
6qhk
Structure name
pao-linked dimer of the catalytic domain of the human ubiquitin- conjugating enzyme ube2s
Structure deposition date
2019-01-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
9
% buried
100
Peptide A name
Ubiquitin-conjugating enzyme E2 S
Peptide B name
Ubiquitin-conjugating enzyme E2 S
Peptide A accession
Q16763
Peptide B accession
Q16763
Peptide A residue number
118
Peptide B residue number
118

Ligandability

Ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

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