ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Glucagon-like peptide 1 receptor

Intramolecular
Cysteine 403 and cysteine 174
Cysteine 85 and cysteine 126
Cysteine 226 and cysteine 296
Cysteine 62 and cysteine 104
Cysteine 46 and cysteine 71
Cysteine 329 and cysteine 236
Cysteine 341 and cysteine 347
Cysteine 226 and cysteine 62
Cysteine 62 and cysteine 296
Cysteine 329 and cysteine 62
More...
Cysteine 62 and cysteine 236
Cysteine 71 and cysteine 329
Cysteine 458 and cysteine 71
Cysteine 458 and cysteine 329
Cysteine 458 and cysteine 1009
Cysteine 1009 and cysteine 329
Cysteine 1009 and cysteine 71
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 403 and 174 (317 and 361 respectively in this structure).

Details

Redox score ?
83
PDB code
5vew
Structure name
structure of the human glp-1 receptor complex with pf-06372222
Structure deposition date
2017-04-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
P43220
Residue number A
403
Residue number B
174
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 403 of Glucagon-like peptide 1 receptor

Cysteine 174 of Glucagon-like peptide 1 receptor

A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 85 and 126.

Details

Redox score ?
83
PDB code
7e14
Structure name
compound2_glp-1r_owl833_gs complex structure
Structure deposition date
2021-01-30
Thiol separation (Å)
3
Half-sphere exposure sum ?
53
Minimum pKa ?
9
% buried
14
Peptide accession
P43220
Residue number A
85
Residue number B
126
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 85 of Glucagon-like peptide 1 receptor

Cysteine 126 of Glucagon-like peptide 1 receptor

A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 226 and 296.

Details

Redox score ?
80
PDB code
7e14
Structure name
compound2_glp-1r_owl833_gs complex structure
Structure deposition date
2021-01-30
Thiol separation (Å)
3
Half-sphere exposure sum ?
53
Minimum pKa ?
7
% buried
71
Peptide accession
P43220
Residue number A
226
Residue number B
296
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 226 of Glucagon-like peptide 1 receptor

Cysteine 296 of Glucagon-like peptide 1 receptor

A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 62 and 104.

Details

Redox score ?
79
PDB code
7e14
Structure name
compound2_glp-1r_owl833_gs complex structure
Structure deposition date
2021-01-30
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
20
Peptide accession
P43220
Residue number A
62
Residue number B
104
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 62 of Glucagon-like peptide 1 receptor

Cysteine 104 of Glucagon-like peptide 1 receptor

A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 46 and 71.

Details

Redox score ?
72
PDB code
7e14
Structure name
compound2_glp-1r_owl833_gs complex structure
Structure deposition date
2021-01-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
43
Peptide accession
P43220
Residue number A
46
Residue number B
71
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 46 of Glucagon-like peptide 1 receptor

Cysteine 71 of Glucagon-like peptide 1 receptor

A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 329 and 236 (193 and 236 respectively in this structure).

Details

Redox score ?
70
PDB code
5vex
Structure name
structure of the human glp-1 receptor complex with nnc0640
Structure deposition date
2017-04-05
Thiol separation (Å)
5
Half-sphere exposure sum ?
63
Minimum pKa ?
7
% buried
60
Peptide accession
P43220
Residue number A
329
Residue number B
236
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 329 of Glucagon-like peptide 1 receptor

Cysteine 236 of Glucagon-like peptide 1 receptor

A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 341 and 347. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6x19
Structure name
non peptide agonist chu-128, bound to glucagon-like peptide-1 (glp-1) receptor
Structure deposition date
2020-05-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
31
Minimum pKa ?
8
% buried
0
Peptide accession
P43220
Residue number A
341
Residue number B
347
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 341 of Glucagon-like peptide 1 receptor

Cysteine 347 of Glucagon-like peptide 1 receptor

A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 226 and 62 (226 and 233 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
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
nan
Peptide accession
P43220
Residue number A
226
Residue number B
62
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 226 of Glucagon-like peptide 1 receptor

Cysteine 62 of Glucagon-like peptide 1 receptor

Uncertain whether structure cysteine 233 has been assigned to correct residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 62 and 296 (233 and 296 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
55
Minimum pKa ?
10
% buried
nan
Peptide accession
P43220
Residue number A
62
Residue number B
296
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 62 of Glucagon-like peptide 1 receptor

Cysteine 296 of Glucagon-like peptide 1 receptor

Uncertain whether structure cysteine 233 has been assigned to correct residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 329 and 62 (193 and 233 respectively in this structure).

Details

Redox score ?
nan
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
5
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
60
Peptide accession
P43220
Residue number A
329
Residue number B
62
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 329 of Glucagon-like peptide 1 receptor

Cysteine 62 of Glucagon-like peptide 1 receptor

Uncertain whether structure cysteine 233 has been assigned to correct residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 62 and 236 (233 and 236 respectively in this structure).

Details

Redox score ?
nan
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
72
Peptide accession
P43220
Residue number A
62
Residue number B
236
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 62 of Glucagon-like peptide 1 receptor

Cysteine 236 of Glucagon-like peptide 1 receptor

Uncertain whether structure cysteine 233 has been assigned to correct residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 71 and 329 (1039 and 1042 respectively in this structure).

Details

Redox score ?
nan
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
7
% buried
4
Peptide accession
P43220
Residue number A
71
Residue number B
329
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 71 of Glucagon-like peptide 1 receptor

Cysteine 329 of Glucagon-like peptide 1 receptor

Uncertain whether structure cysteine 1039 has been assigned to correct residue.
Uncertain whether structure cysteine 1042 has been assigned to correct residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 458 and 71 (1006 and 1039 respectively in this structure).

Details

Redox score ?
nan
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
6
% buried
10
Peptide accession
P43220
Residue number A
458
Residue number B
71
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 458 of Glucagon-like peptide 1 receptor

Cysteine 71 of Glucagon-like peptide 1 receptor

Uncertain whether structure cysteine 1006 has been assigned to correct residue.
Uncertain whether structure cysteine 1039 has been assigned to correct residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 458 and 329 (1006 and 1042 respectively in this structure).

Details

Redox score ?
nan
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
5
Half-sphere exposure sum ?
50
Minimum pKa ?
6
% buried
6
Peptide accession
P43220
Residue number A
458
Residue number B
329
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 458 of Glucagon-like peptide 1 receptor

Cysteine 329 of Glucagon-like peptide 1 receptor

Uncertain whether structure cysteine 1006 has been assigned to correct residue.
Uncertain whether structure cysteine 1042 has been assigned to correct residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 458 and 1009 (1006 and 1009 respectively in this structure).

Details

Redox score ?
nan
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
6
% buried
6
Peptide accession
P43220
Residue number A
458
Residue number B
1009
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 458 of Glucagon-like peptide 1 receptor

Cysteine 1009 of Glucagon-like peptide 1 receptor

Uncertain whether structure cysteine 1006 has been assigned to correct residue.
Cysteine 1009 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 1009 and 329 (1009 and 1042 respectively in this structure).

Details

Redox score ?
nan
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
37
Minimum pKa ?
7
% buried
0
Peptide accession
P43220
Residue number A
1009
Residue number B
329
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 1009 of Glucagon-like peptide 1 receptor

Cysteine 329 of Glucagon-like peptide 1 receptor

Cysteine 1009 in protein A could not be asigned to a Uniprot residue.
Uncertain whether structure cysteine 1042 has been assigned to correct residue.
A redox-regulated disulphide may form within Glucagon-like peptide 1 receptor between cysteines 1009 and 71 (1009 and 1039 respectively in this structure).

Details

Redox score ?
nan
PDB code
6ln2
Structure name
crystal structure of full length human glp1 receptor in complex with fab fragment (fab7f38)
Structure deposition date
2019-12-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
8
% buried
4
Peptide accession
P43220
Residue number A
1009
Residue number B
71
Peptide name
Glucagon-like peptide 1 receptor

Ligandability

Cysteine 1009 of Glucagon-like peptide 1 receptor

Cysteine 71 of Glucagon-like peptide 1 receptor

Cysteine 1009 in protein A could not be asigned to a Uniprot residue.
Uncertain whether structure cysteine 1039 has been assigned to correct residue.
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