ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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E3 ubiquitin-protein ligase SMURF2

Intermolecular
Cysteine 716 and cysteine 229 of Polyubiquitin-B
Intramolecular
Cysteine 96 and cysteine 118
A redox-regulated disulphide may form between cysteine 716 of E3 ubiquitin-protein ligase SMURF2 and cysteine 229 of Polyubiquitin-B (86 and 76 respectively in this structure).

Details

Redox score ?
86
PDB code
6fx4
Structure name
disulfide between e3 hect ligase smurf2 and ubiquitin g76c
Structure deposition date
2018-03-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
E3 ubiquitin-protein ligase SMURF2
Peptide B name
Polyubiquitin-B
Peptide A accession
Q9HAU4
Peptide B accession
P0CG47
Peptide A residue number
716
Peptide B residue number
229

Ligandability

Cysteine 716 of E3 ubiquitin-protein ligase SMURF2

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 within E3 ubiquitin-protein ligase SMURF2 between cysteines 96 and 118. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
2jqz
Structure name
solution structure of the c2 domain of human smurf2
Structure deposition date
2007-06-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
9
% buried
28
Peptide accession
Q9HAU4
Residue number A
96
Residue number B
118
Peptide name
E3 ubiquitin-protein ligase SMURF2

Ligandability

Cysteine 96 of E3 ubiquitin-protein ligase SMURF2

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 118 of E3 ubiquitin-protein ligase SMURF2

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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