ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Gamma-aminobutyric acid type B receptor subunit 2

Intramolecular
Cysteine 553 and cysteine 648
Cysteine 108 and cysteine 135
Cysteine 265 and cysteine 302
Cysteine 237 and cysteine 266
Cysteine 610 and cysteine 614
Cysteine 237 and cysteine 265
Cysteine 237 and cysteine 302
Cysteine 265 and cysteine 266
Cysteine 266 and cysteine 302
Cysteine 703 and cysteine 731
Cysteine 672 and cysteine 703
A redox-regulated disulphide may form within Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 553 and 648.

Details

Redox score ?
85
PDB code
6wiv
Structure name
structure of human gaba(b) receptor in an inactive state
Structure deposition date
2020-04-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
O75899
Residue number A
553
Residue number B
648
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 553 of Gamma-aminobutyric acid type B receptor subunit 2

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 648 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 108 and 135.

Details

Redox score ?
81
PDB code
4ms3
Structure name
crystal structure of the extracellular domain of human gaba(b) receptor bound to the endogenous agonist gaba
Structure deposition date
2013-09-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
O75899
Residue number A
108
Residue number B
135
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 108 of Gamma-aminobutyric acid type B receptor subunit 2

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 135 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 265 and 302.

Details

Redox score ?
75
PDB code
7eb2
Structure name
cryo-em structure of human gaba(b) receptor-gi protein complex
Structure deposition date
2021-03-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
54
Minimum pKa ?
9
% buried
26
Peptide accession
O75899
Residue number A
265
Residue number B
302
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 265 of Gamma-aminobutyric acid type B receptor subunit 2

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 302 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 237 and 266.

Details

Redox score ?
65
PDB code
7eb2
Structure name
cryo-em structure of human gaba(b) receptor-gi protein complex
Structure deposition date
2021-03-08
Thiol separation (Å)
5
Half-sphere exposure sum ?
58
Minimum pKa ?
10
% buried
30
Peptide accession
O75899
Residue number A
237
Residue number B
266
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 237 of Gamma-aminobutyric acid type B receptor subunit 2

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 266 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 610 and 614.

Details

Redox score ?
63
PDB code
6w2x
Structure name
cryoem structure of inactive gabab heterodimer
Structure deposition date
2020-03-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
29
Minimum pKa ?
9
% buried
0
Peptide accession
O75899
Residue number A
610
Residue number B
614
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 610 of Gamma-aminobutyric acid type B receptor subunit 2

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 614 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 237 and 265. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
4ms1
Structure name
crystal structure of the extracellular domain of human gaba(b) receptor bound to the antagonist cgp46381
Structure deposition date
2013-09-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
O75899
Residue number A
237
Residue number B
265
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 237 of Gamma-aminobutyric acid type B receptor subunit 2

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 265 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 237 and 302. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
4mqf
Structure name
crystal structure of the extracellular domain of human gaba(b) receptor bound to the antagonist 2-hydroxysaclofen
Structure deposition date
2013-09-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
O75899
Residue number A
237
Residue number B
302
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 237 of Gamma-aminobutyric acid type B receptor subunit 2

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 302 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 265 and 266. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
4f11
Structure name
crystal structure of the extracellular domain of human gaba(b) receptor gbr2
Structure deposition date
2012-05-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
O75899
Residue number A
265
Residue number B
266
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 265 of Gamma-aminobutyric acid type B receptor subunit 2

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 266 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 266 and 302. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
4mr9
Structure name
crystal structure of the extracellular domain of human gaba(b) receptor bound to the antagonist sch50911
Structure deposition date
2013-09-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
O75899
Residue number A
266
Residue number B
302
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 266 of Gamma-aminobutyric acid type B receptor subunit 2

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 302 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 703 and 731. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7c7s
Structure name
cryo-em structure of the cgp54626-bound human gaba(b) receptor in inactive state
Structure deposition date
2020-05-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
77
Peptide accession
O75899
Residue number A
703
Residue number B
731
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 703 of Gamma-aminobutyric acid type B receptor subunit 2

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 731 of Gamma-aminobutyric acid type B receptor subunit 2

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 Gamma-aminobutyric acid type B receptor subunit 2 between cysteines 672 and 703. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
6vjm
Structure name
human metabotropic gaba(b) receptor in its apo state
Structure deposition date
2020-01-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
36
Peptide accession
O75899
Residue number A
672
Residue number B
703
Peptide name
Gamma-aminobutyric acid type B receptor subunit 2

Ligandability

Cysteine 672 of Gamma-aminobutyric acid type B receptor subunit 2

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 703 of Gamma-aminobutyric acid type B receptor subunit 2

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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