ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Prostaglandin reductase 3

Intramolecular
Cysteine 323 and cysteine 330
Cysteine 204 and cysteine 218
A redox-regulated disulphide may form within Prostaglandin reductase 3 between cysteines 323 and 330.

Details

Redox score ?
77
PDB code
2x7h
Structure name
crystal structure of the human mgc45594 gene product in complex with fenoprofen
Structure deposition date
2010-02-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
7
% buried
68
Peptide accession
Q8N4Q0
Residue number A
323
Residue number B
330
Peptide name
Prostaglandin reductase 3

Ligandability

Cysteine 323 of Prostaglandin reductase 3

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 330 of Prostaglandin reductase 3

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 Prostaglandin reductase 3 between cysteines 204 and 218 (195 and 209 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
2c0c
Structure name
structure of the mgc45594 gene product
Structure deposition date
2005-08-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
72
Peptide accession
Q8N4Q0
Residue number A
204
Residue number B
218
Peptide name
Prostaglandin reductase 3

Ligandability

Cysteine 204 of Prostaglandin reductase 3

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 218 of Prostaglandin reductase 3

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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