ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Aldo-keto reductase family 1 member C3

Intramolecular
Cysteine 188 and cysteine 206
Cysteine 193 and cysteine 206
A redox-regulated disulphide may form within Aldo-keto reductase family 1 member C3 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 ?
34
PDB code
7c7h
Structure name
crystal structures of akr1c3 ternary complex with nadp+ and the chromene derivative 2l
Structure deposition date
2020-05-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
94
Peptide accession
P42330
Residue number A
188
Residue number B
206
Peptide name
Aldo-keto reductase family 1 member C3

Ligandability

Cysteine 188 of Aldo-keto reductase family 1 member C3

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 C3

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 C3 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 ?
34
PDB code
7wqr
Structure name
crystal structure of aldo-keto reductase 1c3 complexed with compound 28
Structure deposition date
2022-01-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
74
Minimum pKa ?
10
% buried
91
Peptide accession
P42330
Residue number A
193
Residue number B
206
Peptide name
Aldo-keto reductase family 1 member C3

Ligandability

Cysteine 193 of Aldo-keto reductase family 1 member C3

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 C3

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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