ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Glucose-dependent insulinotropic receptor

Intramolecular
Cysteine 78 and cysteine 155
Cysteine 251 and cysteine 254
Cysteine 42 and cysteine 125
A redox-regulated disulphide may form within Glucose-dependent insulinotropic receptor between cysteines 78 and 155.

Details

Redox score ?
86
PDB code
7wcm
Structure name
cryo-em structure of gpr119-gs complex with small molecule agonist mbx-2982
Structure deposition date
2021-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8TDV5
Residue number A
78
Residue number B
155
Peptide name
Glucose-dependent insulinotropic receptor

Ligandability

Cysteine 78 of Glucose-dependent insulinotropic receptor

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 155 of Glucose-dependent insulinotropic receptor

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 Glucose-dependent insulinotropic receptor between cysteines 251 and 254. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7wcm
Structure name
cryo-em structure of gpr119-gs complex with small molecule agonist mbx-2982
Structure deposition date
2021-12-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
30
Minimum pKa ?
9
% buried
0
Peptide accession
Q8TDV5
Residue number A
251
Residue number B
254
Peptide name
Glucose-dependent insulinotropic receptor

Ligandability

Cysteine 251 of Glucose-dependent insulinotropic receptor

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 254 of Glucose-dependent insulinotropic receptor

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 Glucose-dependent insulinotropic receptor between cysteines 42 and 125. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7wcm
Structure name
cryo-em structure of gpr119-gs complex with small molecule agonist mbx-2982
Structure deposition date
2021-12-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
24
Peptide accession
Q8TDV5
Residue number A
42
Residue number B
125
Peptide name
Glucose-dependent insulinotropic receptor

Ligandability

Cysteine 42 of Glucose-dependent insulinotropic receptor

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 125 of Glucose-dependent insulinotropic receptor

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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