a tool for identifying drug-targetable redox-active disulphides

Carbonyl reductase [NADPH] 1

Intramolecular

Cysteine 226 and cysteine 227 L

A redox-regulated disulphide may form within Carbonyl reductase [NADPH] 1 between cysteines 226 and 227 (225 and 226 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

Structure name

crystal structure of human cbr1 in complex with bigf2

Structure deposition date

2007-04-04

Thiol separation (Å)

7

Half-sphere exposure sum ?

88

Minimum pK_a ?

13

% buried

96

Peptide accession

Residue number A

226

Residue number B

227

Peptide name

Carbonyl reductase [NADPH] 1

Ligandability

Cysteine 226 of Carbonyl reductase [NADPH] 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.

Cysteine 227 of Carbonyl reductase [NADPH] 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.

Ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

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