ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alpha-aminoadipic semialdehyde dehydrogenase

Intramolecular
Cysteine 215 and cysteine 248
Cysteine 154 and cysteine 248
Cysteine 211 and cysteine 215
A redox-regulated disulphide may form within Alpha-aminoadipic semialdehyde dehydrogenase between cysteines 215 and 248 (187 and 220 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6o4g
Structure name
structure of aldh7a1 mutant p169s complexed with alpha-aminoadipate
Structure deposition date
2019-02-28
Thiol separation (Å)
5
Half-sphere exposure sum ?
107
Minimum pKa ?
8
% buried
100
Peptide accession
P49419
Residue number A
215
Residue number B
248
Peptide name
Alpha-aminoadipic semialdehyde dehydrogenase

Ligandability

Cysteine 215 of Alpha-aminoadipic semialdehyde 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 248 of Alpha-aminoadipic semialdehyde 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 Alpha-aminoadipic semialdehyde dehydrogenase between cysteines 154 and 248 (126 and 220 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
6o4f
Structure name
structure of aldh7a1 mutant n167s complexed with alpha-aminoadipate
Structure deposition date
2019-02-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
102
Minimum pKa ?
12
% buried
100
Peptide accession
P49419
Residue number A
154
Residue number B
248
Peptide name
Alpha-aminoadipic semialdehyde dehydrogenase

Ligandability

Cysteine 154 of Alpha-aminoadipic semialdehyde 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 248 of Alpha-aminoadipic semialdehyde 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 Alpha-aminoadipic semialdehyde dehydrogenase between cysteines 211 and 215 (183 and 187 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
19
PDB code
6o4b
Structure name
structure of aldh7a1 mutant w175g complexed with nad
Structure deposition date
2019-02-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
102
Minimum pKa ?
13
% buried
100
Peptide accession
P49419
Residue number A
211
Residue number B
215
Peptide name
Alpha-aminoadipic semialdehyde dehydrogenase

Ligandability

Cysteine 211 of Alpha-aminoadipic semialdehyde 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 215 of Alpha-aminoadipic semialdehyde 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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