ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Aldo-keto reductase family 1 member C21

Intermolecular
Cysteine 5 and cysteine 5
Intramolecular
Cysteine 5 and cysteine 7
A redox-regulated disulphide may form between two units of Aldo-keto reductase family 1 member C21 at cysteines 5 and 5. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
3fjn
Structure name
the crystal structure of 17-alpha hydroxysteroid dehydrogenase y224d mutant
Structure deposition date
2008-12-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide A name
Aldo-keto reductase family 1 member C21
Peptide B name
Aldo-keto reductase family 1 member C21
Peptide A accession
Q91WR5
Peptide B accession
Q91WR5
Peptide A residue number
5
Peptide B residue number
5

Ligandability

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 C21 between cysteines 5 and 7.

Details

Redox score ?
84
PDB code
2p5n
Structure name
crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase in complex with coenzyme nadph
Structure deposition date
2007-03-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6P8V0
Residue number A
5
Residue number B
7
Peptide name
Aldo-keto reductase family 1 member C21

Ligandability

Cysteine 5 of Aldo-keto reductase family 1 member C21

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 7 of Aldo-keto reductase family 1 member C21

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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