ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Cholecystokinin receptor type A

Intramolecular
Cysteine 18 and cysteine 29
Cysteine 114 and cysteine 196
Cysteine 325 and cysteine 364
Cysteine 91 and cysteine 364
Cysteine 91 and cysteine 94
A redox-regulated disulphide may form within Cholecystokinin receptor type A between cysteines 18 and 29.

Details

Redox score ?
85
PDB code
1d6g
Structure name
molecular complex of cholecystokinin-8 and n-terminus of the cholecystokinin a receptor by nmr spectroscopy
Structure deposition date
1999-10-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
30
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32238
Residue number A
18
Residue number B
29
Peptide name
Cholecystokinin receptor type A

Ligandability

Cysteine 18 of Cholecystokinin receptor type A

Cysteine 29 of Cholecystokinin receptor type A

A redox-regulated disulphide may form within Cholecystokinin receptor type A between cysteines 114 and 196.

Details

Redox score ?
83
PDB code
7f8x
Structure name
crystal structure of the cholecystokinin receptor cckar in complex with nn9056
Structure deposition date
2021-07-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32238
Residue number A
114
Residue number B
196
Peptide name
Cholecystokinin receptor type A

Ligandability

Cysteine 114 of Cholecystokinin receptor type A

Cysteine 196 of Cholecystokinin receptor type A

A redox-regulated disulphide may form within Cholecystokinin receptor type A between cysteines 325 and 364. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7f8y
Structure name
crystal structure of the cholecystokinin receptor cckar in complex with devazepide
Structure deposition date
2021-07-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
60
Peptide accession
P32238
Residue number A
325
Residue number B
364
Peptide name
Cholecystokinin receptor type A

Ligandability

Cysteine 325 of Cholecystokinin receptor type A

Cysteine 364 of Cholecystokinin receptor type A

A redox-regulated disulphide may form within Cholecystokinin receptor type A between cysteines 91 and 364 (91 and 598 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7f8x
Structure name
crystal structure of the cholecystokinin receptor cckar in complex with nn9056
Structure deposition date
2021-07-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
60
Peptide accession
P32238
Residue number A
91
Residue number B
364
Peptide name
Cholecystokinin receptor type A

Ligandability

Cysteine 91 of Cholecystokinin receptor type A

Cysteine 364 of Cholecystokinin receptor type A

A redox-regulated disulphide may form within Cholecystokinin receptor type A between cysteines 91 and 94. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7f8y
Structure name
crystal structure of the cholecystokinin receptor cckar in complex with devazepide
Structure deposition date
2021-07-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
80
Peptide accession
P32238
Residue number A
91
Residue number B
94
Peptide name
Cholecystokinin receptor type A

Ligandability

Cysteine 91 of Cholecystokinin receptor type A

Cysteine 94 of Cholecystokinin receptor type A

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