ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Retinal dehydrogenase 2

Intramolecular
Cysteine 202 and cysteine 203
Cysteine 319 and cysteine 320
Cysteine 58 and cysteine 67
Cysteine 180 and cysteine 203
A redox-regulated disulphide may form within Retinal dehydrogenase 2 between cysteines 202 and 203 (184 and 185 respectively in this structure).

Details

Redox score ?
61
PDB code
4x2q
Structure name
crystal structure of human aldehyde dehydrogenase, aldh1a2
Structure deposition date
2014-11-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
99
Minimum pKa ?
8
% buried
100
Peptide accession
O94788
Residue number A
202
Residue number B
203
Peptide name
Retinal dehydrogenase 2

Ligandability

Cysteine 202 of Retinal dehydrogenase 2

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 203 of Retinal dehydrogenase 2

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 Retinal dehydrogenase 2 between cysteines 319 and 320 (301 and 302 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
1bi9
Structure name
retinal dehydrogenase type two with nad bound
Structure deposition date
1998-06-23
Thiol separation (Å)
7
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
92
Peptide accession
Q63639
Residue number A
319
Residue number B
320
Peptide name
Retinal dehydrogenase 2

Ligandability

Cysteine 319 of Retinal dehydrogenase 2

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 320 of Retinal dehydrogenase 2

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 Retinal dehydrogenase 2 between cysteines 58 and 67 (40 and 49 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
1bi9
Structure name
retinal dehydrogenase type two with nad bound
Structure deposition date
1998-06-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
44
Peptide accession
Q63639
Residue number A
58
Residue number B
67
Peptide name
Retinal dehydrogenase 2

Ligandability

Cysteine 58 of Retinal dehydrogenase 2

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 67 of Retinal dehydrogenase 2

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 Retinal dehydrogenase 2 between cysteines 180 and 203 (162 and 185 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
1bi9
Structure name
retinal dehydrogenase type two with nad bound
Structure deposition date
1998-06-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
97
Minimum pKa ?
8
% buried
100
Peptide accession
Q63639
Residue number A
180
Residue number B
203
Peptide name
Retinal dehydrogenase 2

Ligandability

Cysteine 180 of Retinal dehydrogenase 2

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 203 of Retinal dehydrogenase 2

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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