ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ubiquitin-conjugating enzyme E2 E2

Intramolecular
Cysteine 75 and cysteine 161
Cysteine 130 and cysteine 167
Cysteine 130 and cysteine 139
A redox-regulated disulphide may form within Ubiquitin-conjugating enzyme E2 E2 between cysteines 75 and 161.

Details

Redox score ?
76
PDB code
6w9a
Structure name
rnf12 ring domain in complex with ube2e2
Structure deposition date
2020-03-22
Thiol separation (Å)
3
Half-sphere exposure sum ?
71
Minimum pKa ?
8
% buried
81
Peptide accession
Q96LR5
Residue number A
75
Residue number B
161
Peptide name
Ubiquitin-conjugating enzyme E2 E2

Ligandability

Cysteine 75 of Ubiquitin-conjugating enzyme E2 E2

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 161 of Ubiquitin-conjugating enzyme E2 E2

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 Ubiquitin-conjugating enzyme E2 E2 between cysteines 130 and 167.

Details

Redox score ?
72
PDB code
6w9a
Structure name
rnf12 ring domain in complex with ube2e2
Structure deposition date
2020-03-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
43
Peptide accession
Q96LR5
Residue number A
130
Residue number B
167
Peptide name
Ubiquitin-conjugating enzyme E2 E2

Ligandability

Cysteine 130 of Ubiquitin-conjugating enzyme E2 E2

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 167 of Ubiquitin-conjugating enzyme E2 E2

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 Ubiquitin-conjugating enzyme E2 E2 between cysteines 130 and 139. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6w9a
Structure name
rnf12 ring domain in complex with ube2e2
Structure deposition date
2020-03-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
32
Peptide accession
Q96LR5
Residue number A
130
Residue number B
139
Peptide name
Ubiquitin-conjugating enzyme E2 E2

Ligandability

Cysteine 130 of Ubiquitin-conjugating enzyme E2 E2

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 139 of Ubiquitin-conjugating enzyme E2 E2

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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