ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Liver carboxylesterase 1

Intramolecular
Cysteine 274 and cysteine 285
Cysteine 87 and cysteine 116
A redox-regulated disulphide may form within Liver carboxylesterase 1 between cysteines 274 and 285 (3274 and 3285 respectively in this structure).

Details

Redox score ?
84
PDB code
2hrr
Structure name
crystal structure of human liver carboxylesterase 1 (hce1) in covalent complex with the nerve agent tabun (ga)
Structure deposition date
2006-07-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UK77
Residue number A
274
Residue number B
285
Peptide name
Liver carboxylesterase 1

Ligandability

Cysteine 274 of Liver carboxylesterase 1

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 285 of Liver carboxylesterase 1

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 Isoform 3 of Liver carboxylesterase 1 between cysteines 87 and 116.

Details

Redox score ?
82
PDB code
5a7f
Structure name
comparison of the structure and activity of glycosylated and aglycosylated human carboxylesterase 1
Structure deposition date
2015-07-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23141-3
Residue number A
87
Residue number B
116
Peptide name
Isoform 3 of Liver carboxylesterase 1

Ligandability

Cysteine 87 of Isoform 3 of Liver carboxylesterase 1

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 116 of Isoform 3 of Liver carboxylesterase 1

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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