ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Aldo-keto reductase family 1 member C1

Intramolecular
Cysteine 188 and cysteine 206
Cysteine 193 and cysteine 206
A redox-regulated disulphide may form within Aldo-keto reductase family 1 member C1 between cysteines 188 and 206. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
1mrq
Structure name
crystal structure of human 20alpha-hsd in ternary complex with nadp and 20alpha-hydroxy-progesterone
Structure deposition date
2002-09-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
97
Peptide accession
Q04828
Residue number A
188
Residue number B
206
Peptide name
Aldo-keto reductase family 1 member C1

Ligandability

Cysteine 188 of Aldo-keto reductase family 1 member C1

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 206 of Aldo-keto reductase family 1 member C1

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 Aldo-keto reductase family 1 member C1 between cysteines 193 and 206. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6a7a
Structure name
akr1c1 complexed with new inhibitor with novel scaffold
Structure deposition date
2018-07-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
98
Peptide accession
Q04828
Residue number A
193
Residue number B
206
Peptide name
Aldo-keto reductase family 1 member C1

Ligandability

Cysteine 193 of Aldo-keto reductase family 1 member C1

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 206 of Aldo-keto reductase family 1 member C1

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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