ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Aspartate aminotransferase, mitochondrial

Intramolecular
Cysteine 272 and cysteine 274
Cysteine 187 and cysteine 382
Cysteine 272 and cysteine 295
A redox-regulated disulphide may form within Aspartate aminotransferase, mitochondrial between cysteines 272 and 274. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
5ax8
Structure name
recombinant expression, purification and preliminary crystallographic studies of the mature form of human mitochondrial aspartate aminotransferase
Structure deposition date
2015-07-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
96
Minimum pKa ?
14
% buried
100
Peptide accession
P00505
Residue number A
272
Residue number B
274
Peptide name
Aspartate aminotransferase, mitochondrial

Ligandability

Cysteine 272 of Aspartate aminotransferase, mitochondrial

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 274 of Aspartate aminotransferase, mitochondrial

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 Aspartate aminotransferase, mitochondrial between cysteines 187 and 382. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
5ax8
Structure name
recombinant expression, purification and preliminary crystallographic studies of the mature form of human mitochondrial aspartate aminotransferase
Structure deposition date
2015-07-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
86
Peptide accession
P00505
Residue number A
187
Residue number B
382
Peptide name
Aspartate aminotransferase, mitochondrial

Ligandability

Cysteine 187 of Aspartate aminotransferase, mitochondrial

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 382 of Aspartate aminotransferase, mitochondrial

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 Aspartate aminotransferase, mitochondrial between cysteines 272 and 295. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
5ax8
Structure name
recombinant expression, purification and preliminary crystallographic studies of the mature form of human mitochondrial aspartate aminotransferase
Structure deposition date
2015-07-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
92
Peptide accession
P00505
Residue number A
272
Residue number B
295
Peptide name
Aspartate aminotransferase, mitochondrial

Ligandability

Cysteine 272 of Aspartate aminotransferase, mitochondrial

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 295 of Aspartate aminotransferase, mitochondrial

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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