ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Aldehyde dehydrogenase X, mitochondrial

Intramolecular
Cysteine 318 and cysteine 320 L
Cysteine 318 and cysteine 319 L
Cysteine 319 and cysteine 320 L
A redox-regulated disulphide may form within Aldehyde dehydrogenase X, mitochondrial between cysteines 318 and 320 (301 and 303 respectively in this structure).

Details

Redox score ?
78
PDB code
7mjc
Structure name
crystal structure analysis of aldh1b1
Structure deposition date
2021-04-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
84
Minimum pKa ?
4
% buried
100
Peptide accession
P30837
Residue number A
318
Residue number B
320
Peptide name
Aldehyde dehydrogenase X, mitochondrial

Ligandability

Cysteine 318 of Aldehyde dehydrogenase X, mitochondrial

Cysteine 320 of Aldehyde dehydrogenase X, mitochondrial

A redox-regulated disulphide may form within Aldehyde dehydrogenase X, mitochondrial between cysteines 318 and 319 (301 and 302 respectively in this structure).

Details

Redox score ?
69
PDB code
7mjd
Structure name
crystal structure analysis of aldh1b1
Structure deposition date
2021-04-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
82
Minimum pKa ?
5
% buried
100
Peptide accession
P30837
Residue number A
318
Residue number B
319
Peptide name
Aldehyde dehydrogenase X, mitochondrial

Ligandability

Cysteine 318 of Aldehyde dehydrogenase X, mitochondrial

Cysteine 319 of Aldehyde dehydrogenase X, mitochondrial

A redox-regulated disulphide may form within Aldehyde dehydrogenase X, mitochondrial between cysteines 319 and 320 (302 and 303 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7mjc
Structure name
crystal structure analysis of aldh1b1
Structure deposition date
2021-04-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
90
Minimum pKa ?
14
% buried
100
Peptide accession
P30837
Residue number A
319
Residue number B
320
Peptide name
Aldehyde dehydrogenase X, mitochondrial

Ligandability

Cysteine 319 of Aldehyde dehydrogenase X, mitochondrial

Cysteine 320 of Aldehyde dehydrogenase X, mitochondrial

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