ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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4-aminobutyrate aminotransferase, mitochondrial

Intermolecular
Cysteine 166 and cysteine 166
Cysteine 163 and cysteine 163
Intramolecular
Cysteine 163 and cysteine 166
Cysteine 197 and cysteine 205
Cysteine 166 and cysteine 224
Cysteine 163 and cysteine 224
A redox-regulated disulphide may form between two units of 4-aminobutyrate aminotransferase, mitochondrial at cysteines 166 and 166 (138 and 138 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
1ohy
Structure name
4-aminobutyrate-aminotransferase inactivated by gamma-ethynyl gaba
Structure deposition date
2003-06-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
101
Minimum pKa ?
10
% buried
100
Peptide A name
4-aminobutyrate aminotransferase, mitochondrial
Peptide B name
4-aminobutyrate aminotransferase, mitochondrial
Peptide A accession
P80147
Peptide B accession
P80147
Peptide A residue number
166
Peptide B residue number
166

Ligandability

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 between two units of 4-aminobutyrate aminotransferase, mitochondrial at cysteines 163 and 163 (135 and 135 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
21
PDB code
1ohy
Structure name
4-aminobutyrate-aminotransferase inactivated by gamma-ethynyl gaba
Structure deposition date
2003-06-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
88
Minimum pKa ?
22
% buried
100
Peptide A name
4-aminobutyrate aminotransferase, mitochondrial
Peptide B name
4-aminobutyrate aminotransferase, mitochondrial
Peptide A accession
P80147
Peptide B accession
P80147
Peptide A residue number
163
Peptide B residue number
163

Ligandability

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 4-aminobutyrate aminotransferase, mitochondrial between cysteines 163 and 166 (135 and 138 respectively in this structure).

Details

Redox score ?
64
PDB code
1ohy
Structure name
4-aminobutyrate-aminotransferase inactivated by gamma-ethynyl gaba
Structure deposition date
2003-06-03
Thiol separation (Å)
3
Half-sphere exposure sum ?
97
Minimum pKa ?
10
% buried
100
Peptide accession
P80147
Residue number A
163
Residue number B
166
Peptide name
4-aminobutyrate aminotransferase, mitochondrial

Ligandability

Cysteine 163 of 4-aminobutyrate 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 166 of 4-aminobutyrate 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 4-aminobutyrate aminotransferase, mitochondrial between cysteines 197 and 205 (169 and 177 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
1ohv
Structure name
4-aminobutyrate-aminotransferase from pig
Structure deposition date
2003-06-02
Thiol separation (Å)
6
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
82
Peptide accession
P80147
Residue number A
197
Residue number B
205
Peptide name
4-aminobutyrate aminotransferase, mitochondrial

Ligandability

Cysteine 197 of 4-aminobutyrate 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 205 of 4-aminobutyrate 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 4-aminobutyrate aminotransferase, mitochondrial between cysteines 166 and 224 (138 and 196 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
1ohy
Structure name
4-aminobutyrate-aminotransferase inactivated by gamma-ethynyl gaba
Structure deposition date
2003-06-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
96
Minimum pKa ?
10
% buried
100
Peptide accession
P80147
Residue number A
166
Residue number B
224
Peptide name
4-aminobutyrate aminotransferase, mitochondrial

Ligandability

Cysteine 166 of 4-aminobutyrate 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 224 of 4-aminobutyrate 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 4-aminobutyrate aminotransferase, mitochondrial between cysteines 163 and 224 (135 and 196 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
1ohw
Structure name
4-aminobutyrate-aminotransferase inactivated by gamma-vinyl gaba
Structure deposition date
2003-06-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
87
Minimum pKa ?
16
% buried
100
Peptide accession
P80147
Residue number A
163
Residue number B
224
Peptide name
4-aminobutyrate aminotransferase, mitochondrial

Ligandability

Cysteine 163 of 4-aminobutyrate 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 224 of 4-aminobutyrate 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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