ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytosolic acyl coenzyme A thioester hydrolase

Intramolecular
Cysteine 93 and cysteine 101
Cysteine 239 and cysteine 288
A redox-regulated disulphide may form within Cytosolic acyl coenzyme A thioester hydrolase between cysteines 93 and 101 (96 and 104 respectively in this structure).

Details

Redox score ?
70
PDB code
6vfy
Structure name
crystal structure of mouse acyl-coa thioesterase 7 with coa
Structure deposition date
2020-01-06
Thiol separation (Å)
5
Half-sphere exposure sum ?
79
Minimum pKa ?
7
% buried
63
Peptide accession
Q91V12
Residue number A
93
Residue number B
101
Peptide name
Cytosolic acyl coenzyme A thioester hydrolase

Ligandability

Cysteine 93 of Cytosolic acyl coenzyme A thioester hydrolase

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 101 of Cytosolic acyl coenzyme A thioester hydrolase

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 Cytosolic acyl coenzyme A thioester hydrolase between cysteines 239 and 288 (229 and 278 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
2qq2
Structure name
crystal structure of c-terminal domain of human acyl-coa thioesterase 7
Structure deposition date
2007-07-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
56
Peptide accession
O00154
Residue number A
239
Residue number B
288
Peptide name
Cytosolic acyl coenzyme A thioester hydrolase

Ligandability

Cysteine 239 of Cytosolic acyl coenzyme A thioester hydrolase

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 288 of Cytosolic acyl coenzyme A thioester hydrolase

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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