ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Dihydrodiol dehydrogenase

Intramolecular
Cysteine 87 and cysteine 89
Cysteine 188 and cysteine 206
A redox-regulated disulphide may form within Dihydrodiol dehydrogenase between cysteines 87 and 89. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
3ln3
Structure name
crystal structure of putative reductase (np_038806
Structure deposition date
2010-02-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
88
Peptide accession
Q54A37
Residue number A
87
Residue number B
89
Peptide name
Dihydrodiol dehydrogenase

Ligandability

Cysteine 87 of Dihydrodiol dehydrogenase

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 89 of Dihydrodiol dehydrogenase

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 Dihydrodiol dehydrogenase 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 ?
31
PDB code
5uxf
Structure name
crystal structure of mouse recon (akr1c13) in complex with cyclic di- amp
Structure deposition date
2017-02-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
98
Peptide accession
Q54A37
Residue number A
188
Residue number B
206
Peptide name
Dihydrodiol dehydrogenase

Ligandability

Cysteine 188 of Dihydrodiol dehydrogenase

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 Dihydrodiol dehydrogenase

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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