ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Cannabinoid receptor 1

Intramolecular
Cysteine 98 and cysteine 107
Cysteine 257 and cysteine 264
Cysteine 355 and cysteine 386
Cysteine 355 and cysteine 382
Cysteine 382 and cysteine 386
Cysteine 238 and cysteine 449
Cysteine 238 and cysteine 382
Cysteine 238 and cysteine 1090
Cysteine 107 and cysteine 238
Cysteine 98 and cysteine 382
A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 98 and 107.

Details

Redox score ?
87
PDB code
7fee
Structure name
crystal structure of protein l
Structure deposition date
2021-07-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21554
Residue number A
98
Residue number B
107
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 98 of Cannabinoid receptor 1

Cysteine 107 of Cannabinoid receptor 1

A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 257 and 264.

Details

Redox score ?
84
PDB code
7fee
Structure name
crystal structure of protein l
Structure deposition date
2021-07-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21554
Residue number A
257
Residue number B
264
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 257 of Cannabinoid receptor 1

Cysteine 264 of Cannabinoid receptor 1

A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 355 and 386. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6kqi
Structure name
structure of an allosteric modulator bound to the cb1 cannabinoid receptor
Structure deposition date
2019-08-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
78
Peptide accession
P21554
Residue number A
355
Residue number B
386
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 355 of Cannabinoid receptor 1

Cysteine 386 of Cannabinoid receptor 1

A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 355 and 382 (477 and 504 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7v3z
Structure name
structure of cannabinoid receptor type 1(cb1)
Structure deposition date
2021-08-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
55
Minimum pKa ?
11
% buried
54
Peptide accession
P21554
Residue number A
355
Residue number B
382
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 355 of Cannabinoid receptor 1

Cysteine 382 of Cannabinoid receptor 1

A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 382 and 386 (504 and 508 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7v3z
Structure name
structure of cannabinoid receptor type 1(cb1)
Structure deposition date
2021-08-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
72
Peptide accession
P21554
Residue number A
382
Residue number B
386
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 382 of Cannabinoid receptor 1

Cysteine 386 of Cannabinoid receptor 1

A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 238 and 449 (1133 and 1188 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
5u09
Structure name
high-resolution crystal structure of the human cb1 cannabinoid receptor
Structure deposition date
2016-11-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
83
Peptide accession
P21554
Residue number A
238
Residue number B
449
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 238 of Cannabinoid receptor 1

Cysteine 449 of Cannabinoid receptor 1

A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 238 and 382 (362 and 407 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
7v3z
Structure name
structure of cannabinoid receptor type 1(cb1)
Structure deposition date
2021-08-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
84
Peptide accession
P21554
Residue number A
238
Residue number B
382
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 238 of Cannabinoid receptor 1

Cysteine 382 of Cannabinoid receptor 1

A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 238 and 1090 (1057 and 1090 respectively in this structure).

Details

Redox score ?
nan
PDB code
5tgz
Structure name
crystal structure of the human cannabinoid receptor cb1
Structure deposition date
2016-09-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
98
Minimum pKa ?
13
% buried
100
Peptide accession
P21554
Residue number A
238
Residue number B
1090
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 238 of Cannabinoid receptor 1

Cysteine 1090 of Cannabinoid receptor 1

Cysteine 1090 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 107 and 238 (1004 and 1133 respectively in this structure).

Details

Redox score ?
nan
PDB code
7fee
Structure name
crystal structure of protein l
Structure deposition date
2021-07-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
70
Minimum pKa ?
10
% buried
52
Peptide accession
P21554
Residue number A
107
Residue number B
238
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 107 of Cannabinoid receptor 1

Cysteine 238 of Cannabinoid receptor 1

Uncertain whether structure cysteine 1004 has been assigned to correct residue.
A redox-regulated disulphide may form within Cannabinoid receptor 1 between cysteines 98 and 382 (398 and 407 respectively in this structure).

Details

Redox score ?
nan
PDB code
7v3z
Structure name
structure of cannabinoid receptor type 1(cb1)
Structure deposition date
2021-08-12
Thiol separation (Å)
7
Half-sphere exposure sum ?
80
Minimum pKa ?
11
% buried
75
Peptide accession
P21554
Residue number A
98
Residue number B
382
Peptide name
Cannabinoid receptor 1

Ligandability

Cysteine 98 of Cannabinoid receptor 1

Cysteine 382 of Cannabinoid receptor 1

Uncertain whether structure cysteine 398 has been assigned to correct residue.
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