ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Free fatty acid receptor 1

Intramolecular
Cysteine 79 and cysteine 170
Cysteine 201 and cysteine 205
Cysteine 50 and cysteine 127
A redox-regulated disulphide may form within Free fatty acid receptor 1 between cysteines 79 and 170.

Details

Redox score ?
84
PDB code
5tzy
Structure name
gpr40 in complex with agopam ap8 and partial agonist mk-8666
Structure deposition date
2016-11-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
O14842
Residue number A
79
Residue number B
170
Peptide name
Free fatty acid receptor 1

Ligandability

Cysteine 79 of Free fatty acid receptor 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 170 of Free fatty acid receptor 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 Free fatty acid receptor 1 between cysteines 201 and 205. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
4phu
Structure name
crystal structure of human gpr40 bound to allosteric agonist tak-875
Structure deposition date
2014-05-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
55
Peptide accession
O14842
Residue number A
201
Residue number B
205
Peptide name
Free fatty acid receptor 1

Ligandability

Cysteine 201 of Free fatty acid receptor 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 205 of Free fatty acid receptor 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 Free fatty acid receptor 1 between cysteines 50 and 127. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
5kw2
Structure name
the extra-helical binding site of gpr40 and the structural basis for allosteric agonism and incretin stimulation
Structure deposition date
2016-07-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
10
% buried
53
Peptide accession
O14842
Residue number A
50
Residue number B
127
Peptide name
Free fatty acid receptor 1

Ligandability

Cysteine 50 of Free fatty acid receptor 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 127 of Free fatty acid receptor 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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