ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Prostaglandin reductase 1

Intramolecular
Cysteine 137 and cysteine 213 L
Cysteine 167 and cysteine 213 L
Cysteine 137 and cysteine 167
Cysteine 137 and cysteine 239 L
A redox-regulated disulphide may form within Prostaglandin reductase 1 between cysteines 137 and 213.

Details

Redox score ?
81
PDB code
1v3v
Structure name
crystal structure of leukotriene b4 12- hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complexed with nadp and 15-oxo-pge2
Structure deposition date
2003-11-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9EQZ5
Residue number A
137
Residue number B
213
Peptide name
Prostaglandin reductase 1

Ligandability

Cysteine 137 of Prostaglandin reductase 1

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 213 of Prostaglandin reductase 1

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Prostaglandin reductase 1 between cysteines 167 and 213. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
1v3v
Structure name
crystal structure of leukotriene b4 12- hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complexed with nadp and 15-oxo-pge2
Structure deposition date
2003-11-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
nan
Peptide accession
Q9EQZ5
Residue number A
167
Residue number B
213
Peptide name
Prostaglandin reductase 1

Ligandability

Cysteine 167 of Prostaglandin reductase 1

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 213 of Prostaglandin reductase 1

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Prostaglandin reductase 1 between cysteines 137 and 167. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
2dm6
Structure name
crystal structure of anti-configuration of indomethacin and leukotriene b4 12-hydroxydehydrogenase/15-oxo-prostaglandin 13- reductase complex
Structure deposition date
2006-04-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
nan
Peptide accession
Q9EQZ5
Residue number A
137
Residue number B
167
Peptide name
Prostaglandin reductase 1

Ligandability

Cysteine 137 of Prostaglandin reductase 1

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 Prostaglandin reductase 1

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 1 between cysteines 137 and 239. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
1v3t
Structure name
crystal structure of leukotriene b4 12- hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase
Structure deposition date
2003-11-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
84
Minimum pKa ?
14
% buried
nan
Peptide accession
Q9EQZ5
Residue number A
137
Residue number B
239
Peptide name
Prostaglandin reductase 1

Ligandability

Cysteine 137 of Prostaglandin reductase 1

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 239 of Prostaglandin reductase 1

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.

Ligandable in the dataset of Kuljanin et al.

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