ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Gamma-aminobutyric acid receptor subunit alpha-1

Intramolecular
Cysteine 181 and cysteine 195
Cysteine 276 and cysteine 335
A redox-regulated disulphide may form within Gamma-aminobutyric acid receptor subunit alpha-1 between cysteines 181 and 195 (139 and 153 respectively in this structure).

Details

Redox score ?
82
PDB code
7qne
Structure name
cryo-em structure of human full-length synaptic alpha1beta3gamma2 gaba(a)r in complex with ro15-4513 and megabody mb38
Structure deposition date
2021-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A1B0GV38
Residue number A
181
Residue number B
195
Peptide name
Gamma-aminobutyric acid receptor subunit alpha-1

Ligandability

Cysteine 181 of Gamma-aminobutyric acid receptor subunit alpha-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 195 of Gamma-aminobutyric acid receptor subunit alpha-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 receptor subunit alpha-1 between cysteines 276 and 335 (234 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 ?
55
PDB code
7qne
Structure name
cryo-em structure of human full-length synaptic alpha1beta3gamma2 gaba(a)r in complex with ro15-4513 and megabody mb38
Structure deposition date
2021-12-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
100
Peptide accession
A0A1B0GV38
Residue number A
276
Residue number B
335
Peptide name
Gamma-aminobutyric acid receptor subunit alpha-1

Ligandability

Cysteine 276 of Gamma-aminobutyric acid receptor subunit alpha-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 335 of Gamma-aminobutyric acid receptor subunit alpha-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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