ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Gamma-aminobutyric acid type B receptor subunit 1

Intramolecular
Cysteine 130 and cysteine 156
Cysteine 30 and cysteine 81
Cysteine 67 and cysteine 96
Cysteine 99 and cysteine 144
Cysteine 220 and cysteine 246
Cysteine 663 and cysteine 761
Cysteine 376 and cysteine 410
Cysteine 609 and cysteine 637
Cysteine 637 and cysteine 816
Cysteine 188 and cysteine 246
A redox-regulated disulphide may form within Gamma-aminobutyric acid type B receptor subunit 1 between cysteines 130 and 156.

Details

Redox score ?
88
PDB code
1srz
Structure name
solution structure of the second complement control protein (ccp) module of the gaba(b)r1a receptor, pro-119 trans conformer
Structure deposition date
2004-03-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Z0U4
Residue number A
130
Residue number B
156
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 130 of Gamma-aminobutyric acid type B receptor subunit 1

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 156 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 30 and 81 (7 and 58 respectively in this structure).

Details

Redox score ?
87
PDB code
6hkc
Structure name
solution structure of the sushi 1 domain of gababr1a
Structure deposition date
2018-09-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UBS5
Residue number A
30
Residue number B
81
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 30 of Gamma-aminobutyric acid type B receptor subunit 1

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 81 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 67 and 96 (44 and 73 respectively in this structure).

Details

Redox score ?
86
PDB code
6hkc
Structure name
solution structure of the sushi 1 domain of gababr1a
Structure deposition date
2018-09-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
47
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UBS5
Residue number A
67
Residue number B
96
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 67 of Gamma-aminobutyric acid type B receptor subunit 1

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 96 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 99 and 144.

Details

Redox score ?
86
PDB code
1srz
Structure name
solution structure of the second complement control protein (ccp) module of the gaba(b)r1a receptor, pro-119 trans conformer
Structure deposition date
2004-03-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Z0U4
Residue number A
99
Residue number B
144
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 99 of Gamma-aminobutyric acid type B receptor subunit 1

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 144 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 220 and 246 (103 and 129 respectively in this structure).

Details

Redox score ?
82
PDB code
4mrm
Structure name
crystal structure of the extracellular domain of human gaba(b) receptor bound to the antagonist phaclofen
Structure deposition date
2013-09-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UBS5
Residue number A
220
Residue number B
246
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 220 of Gamma-aminobutyric acid type B receptor subunit 1

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 246 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 663 and 761.

Details

Redox score ?
63
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 ?
66
Minimum pKa ?
10
% buried
56
Peptide accession
Q9UBS5
Residue number A
663
Residue number B
761
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 663 of Gamma-aminobutyric acid type B receptor subunit 1

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 761 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 376 and 410 (259 and 293 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
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 ?
60
Minimum pKa ?
10
% buried
17
Peptide accession
Q9UBS5
Residue number A
376
Residue number B
410
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 376 of Gamma-aminobutyric acid type B receptor subunit 1

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 410 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 609 and 637 (492 and 520 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
6w2y
Structure name
cryoem structure of gabab1b homodimer
Structure deposition date
2020-03-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
84
Minimum pKa ?
10
% buried
66
Peptide accession
Q9UBS5
Residue number A
609
Residue number B
637
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 609 of Gamma-aminobutyric acid type B receptor subunit 1

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 637 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 637 and 816. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
7cum
Structure name
cryo-em structure of human gaba(b) receptor bound to the antagonist cgp54626
Structure deposition date
2020-08-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
100
Peptide accession
Q9UBS5
Residue number A
637
Residue number B
816
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 637 of Gamma-aminobutyric acid type B receptor subunit 1

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 816 of Gamma-aminobutyric acid type B receptor subunit 1

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 1 between cysteines 188 and 246 (71 and 129 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
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)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
nan
Peptide accession
Q9UBS5
Residue number A
188
Residue number B
246
Peptide name
Gamma-aminobutyric acid type B receptor subunit 1

Ligandability

Cysteine 188 of Gamma-aminobutyric acid type B receptor subunit 1

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 246 of Gamma-aminobutyric acid type B receptor subunit 1

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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