ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Acyl-coenzyme A thioesterase THEM4

Intramolecular
Cysteine 167 and cysteine 212
Cysteine 136 and cysteine 212
A redox-regulated disulphide may form within Acyl-coenzyme A thioesterase THEM4 between cysteines 167 and 212. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
4gah
Structure name
human acyl-coa thioesterases 4 in complex with undecan-2-one-coa inhibitor
Structure deposition date
2012-07-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
82
Minimum pKa ?
11
% buried
88
Peptide accession
Q5T1C6
Residue number A
167
Residue number B
212
Peptide name
Acyl-coenzyme A thioesterase THEM4

Ligandability

Cysteine 167 of Acyl-coenzyme A thioesterase THEM4

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 212 of Acyl-coenzyme A thioesterase THEM4

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 Acyl-coenzyme A thioesterase THEM4 between cysteines 136 and 212. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
4ae8
Structure name
crystal structure of human them4
Structure deposition date
2012-01-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
100
Peptide accession
Q5T1C6
Residue number A
136
Residue number B
212
Peptide name
Acyl-coenzyme A thioesterase THEM4

Ligandability

Cysteine 136 of Acyl-coenzyme A thioesterase THEM4

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 212 of Acyl-coenzyme A thioesterase THEM4

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.

If this tool was useful for finding a disulphide, please cite: