ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Carbonyl reductase [NADPH] 3

Intramolecular
Cysteine 143 and cysteine 227
Cysteine 226 and cysteine 227
A redox-regulated disulphide may form within Carbonyl reductase [NADPH] 3 between cysteines 143 and 227. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
2hrb
Structure name
crystal structure of human carbonyl reductase 3, complexed with nadp+
Structure deposition date
2006-07-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
94
Peptide accession
O75828
Residue number A
143
Residue number B
227
Peptide name
Carbonyl reductase [NADPH] 3

Ligandability

Cysteine 143 of Carbonyl reductase [NADPH] 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 227 of Carbonyl reductase [NADPH] 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 Carbonyl reductase [NADPH] 3 between cysteines 226 and 227. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
2hrb
Structure name
crystal structure of human carbonyl reductase 3, complexed with nadp+
Structure deposition date
2006-07-20
Thiol separation (Å)
6
Half-sphere exposure sum ?
85
Minimum pKa ?
13
% buried
94
Peptide accession
O75828
Residue number A
226
Residue number B
227
Peptide name
Carbonyl reductase [NADPH] 3

Ligandability

Cysteine 226 of Carbonyl reductase [NADPH] 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 227 of Carbonyl reductase [NADPH] 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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