ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Acyl-protein thioesterase 2

Intramolecular
Cysteine 171 and cysteine 213
Cysteine 147 and cysteine 171
A redox-regulated disulphide may form within Acyl-protein thioesterase 2 between cysteines 171 and 213. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
5syn
Structure name
cocrystal structure of the human acyl protein thioesterase 2 with an isoform-selective inhibitor, ml349
Structure deposition date
2016-08-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
9
% buried
51
Peptide accession
O95372
Residue number A
171
Residue number B
213
Peptide name
Acyl-protein thioesterase 2

Ligandability

Cysteine 171 of Acyl-protein thioesterase 2

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 213 of Acyl-protein thioesterase 2

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-protein thioesterase 2 between cysteines 147 and 171. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
22
PDB code
6bje
Structure name
crystal structure of lysophospholipase a2 conjugated with phenylmethylsulfonyl fluoride
Structure deposition date
2017-11-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
92
Minimum pKa ?
12
% buried
91
Peptide accession
O95372
Residue number A
147
Residue number B
171
Peptide name
Acyl-protein thioesterase 2

Ligandability

Cysteine 147 of Acyl-protein thioesterase 2

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 171 of Acyl-protein thioesterase 2

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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