ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Gastrin/cholecystokinin type B receptor

Intramolecular
Cysteine 401 and cysteine 405
Cysteine 127 and cysteine 205
Cysteine 391 and cysteine 401
Cysteine 345 and cysteine 384
A redox-regulated disulphide may form within Gastrin/cholecystokinin type B receptor between cysteines 401 and 405.

Details

Redox score ?
84
PDB code
7f8w
Structure name
cryo-em structure of the cholecystokinin receptor cckbr in complex with gastrin-17 and gq
Structure deposition date
2021-07-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
4
Peptide accession
P32239
Residue number A
401
Residue number B
405
Peptide name
Gastrin/cholecystokinin type B receptor

Ligandability

Cysteine 401 of Gastrin/cholecystokinin type B 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 405 of Gastrin/cholecystokinin type B 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 Gastrin/cholecystokinin type B receptor between cysteines 127 and 205.

Details

Redox score ?
83
PDB code
7f8w
Structure name
cryo-em structure of the cholecystokinin receptor cckbr in complex with gastrin-17 and gq
Structure deposition date
2021-07-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32239
Residue number A
127
Residue number B
205
Peptide name
Gastrin/cholecystokinin type B receptor

Ligandability

Cysteine 127 of Gastrin/cholecystokinin type B 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 205 of Gastrin/cholecystokinin type B 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 Gastrin/cholecystokinin type B receptor between cysteines 391 and 401. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7f8w
Structure name
cryo-em structure of the cholecystokinin receptor cckbr in complex with gastrin-17 and gq
Structure deposition date
2021-07-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
53
Peptide accession
P32239
Residue number A
391
Residue number B
401
Peptide name
Gastrin/cholecystokinin type B receptor

Ligandability

Cysteine 391 of Gastrin/cholecystokinin type B 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 401 of Gastrin/cholecystokinin type B 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 Gastrin/cholecystokinin type B receptor between cysteines 345 and 384. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7xow
Structure name
structural insights into human brain gut peptide cholecystokinin receptors
Structure deposition date
2022-05-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
10
% buried
62
Peptide accession
P32239
Residue number A
345
Residue number B
384
Peptide name
Gastrin/cholecystokinin type B receptor

Ligandability

Cysteine 345 of Gastrin/cholecystokinin type B 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 384 of Gastrin/cholecystokinin type B 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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