ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Peroxisomal coenzyme A diphosphatase NUDT7

Intramolecular
Cysteine 108 and cysteine 109
Cysteine 109 and cysteine 113
A redox-regulated disulphide may form within Peroxisomal coenzyme A diphosphatase NUDT7 between cysteines 108 and 109 (109 and 110 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
5t3p
Structure name
crystal structure of human peroxisomal coenzyme a diphosphatase nudt7
Structure deposition date
2016-08-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
74
Peptide accession
P0C024
Residue number A
108
Residue number B
109
Peptide name
Peroxisomal coenzyme A diphosphatase NUDT7

Ligandability

Cysteine 108 of Peroxisomal coenzyme A diphosphatase NUDT7

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 109 of Peroxisomal coenzyme A diphosphatase NUDT7

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 Peroxisomal coenzyme A diphosphatase NUDT7 between cysteines 109 and 113 (110 and 114 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5qha
Structure name
pandda analysis group deposition of models with modelled events (e
Structure deposition date
2018-09-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
10
% buried
54
Peptide accession
P0C024
Residue number A
109
Residue number B
113
Peptide name
Peroxisomal coenzyme A diphosphatase NUDT7

Ligandability

Cysteine 109 of Peroxisomal coenzyme A diphosphatase NUDT7

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 113 of Peroxisomal coenzyme A diphosphatase NUDT7

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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