ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Acetyl-CoA acetyltransferase, mitochondrial

Intermolecular
Cysteine 142 and cysteine 142
Intramolecular
Cysteine 126 and cysteine 413 L
Cysteine 196 and cysteine 413 L
A redox-regulated disulphide may form between two units of Acetyl-CoA acetyltransferase, mitochondrial at cysteines 142 and 142.

Details

Redox score ?
72
PDB code
2f2s
Structure name
human mitochondrial acetoacetyl-coa thiolase
Structure deposition date
2005-11-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
8
% buried
84
Peptide A name
Acetyl-CoA acetyltransferase, mitochondrial
Peptide B name
Acetyl-CoA acetyltransferase, mitochondrial
Peptide A accession
P24752
Peptide B accession
P24752
Peptide A residue number
142
Peptide B residue number
142

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 Acetyl-CoA acetyltransferase, mitochondrial between cysteines 126 and 413. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
2ib8
Structure name
crystallographic and kinetic studies of human mitochondrial acetoacetyl-coa thiolase (t2): the importance of potassium and chloride for its structure and function
Structure deposition date
2006-09-11
Thiol separation (Å)
6
Half-sphere exposure sum ?
103
Minimum pKa ?
11
% buried
100
Peptide accession
P24752
Residue number A
126
Residue number B
413
Peptide name
Acetyl-CoA acetyltransferase, mitochondrial

Ligandability

Cysteine 126 of Acetyl-CoA acetyltransferase, mitochondrial

Ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 413 of Acetyl-CoA acetyltransferase, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Acetyl-CoA acetyltransferase, mitochondrial between cysteines 196 and 413. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
2f2s
Structure name
human mitochondrial acetoacetyl-coa thiolase
Structure deposition date
2005-11-17
Thiol separation (Å)
10
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
88
Peptide accession
P24752
Residue number A
196
Residue number B
413
Peptide name
Acetyl-CoA acetyltransferase, mitochondrial

Ligandability

Cysteine 196 of Acetyl-CoA acetyltransferase, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

Cysteine 413 of Acetyl-CoA acetyltransferase, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

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