ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ubiquitin-conjugating enzyme E2 D2

Intramolecular
Cysteine 21 and cysteine 107
Cysteine 107 and cysteine 111
Cysteine 21 and cysteine 111
A redox-regulated disulphide may form within Ubiquitin-conjugating enzyme E2 D2 between cysteines 21 and 107.

Details

Redox score ?
84
PDB code
2clw
Structure name
crystal structure of human ubiquitin-conjugating enzyme ubch5b
Structure deposition date
2006-05-02
Thiol separation (Å)
3
Half-sphere exposure sum ?
65
Minimum pKa ?
7
% buried
54
Peptide accession
P62837
Residue number A
21
Residue number B
107
Peptide name
Ubiquitin-conjugating enzyme E2 D2

Ligandability

Cysteine 21 of Ubiquitin-conjugating enzyme E2 D2

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 107 of Ubiquitin-conjugating enzyme E2 D2

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 D2 between cysteines 107 and 111.

Details

Redox score ?
70
PDB code
2esq
Structure name
human ubiquitin-conjugating enzyme (e2) ubch5b mutant ser94gly
Structure deposition date
2005-10-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
39
Peptide accession
P62837
Residue number A
107
Residue number B
111
Peptide name
Ubiquitin-conjugating enzyme E2 D2

Ligandability

Cysteine 107 of Ubiquitin-conjugating enzyme E2 D2

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 111 of Ubiquitin-conjugating enzyme E2 D2

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 D2 between cysteines 21 and 111. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
2clw
Structure name
crystal structure of human ubiquitin-conjugating enzyme ubch5b
Structure deposition date
2006-05-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
54
Minimum pKa ?
10
% buried
32
Peptide accession
P62837
Residue number A
21
Residue number B
111
Peptide name
Ubiquitin-conjugating enzyme E2 D2

Ligandability

Cysteine 21 of Ubiquitin-conjugating enzyme E2 D2

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 111 of Ubiquitin-conjugating enzyme E2 D2

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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