ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neuronal acetylcholine receptor subunit alpha-3

Intermolecular
Cysteine 269 and cysteine 260 of Neuronal acetylcholine receptor subunit beta-4
Intramolecular
Cysteine 223 and cysteine 224
Cysteine 159 and cysteine 173
A redox-regulated disulphide may form between cysteine 269 of Neuronal acetylcholine receptor subunit alpha-3 and cysteine 260 of Neuronal acetylcholine receptor subunit beta-4 (238 and 239 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
6pv8
Structure name
human alpha3beta4 nicotinic acetylcholine receptor in complex with at- 1001
Structure deposition date
2019-07-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
12
% buried
86
Peptide A name
Neuronal acetylcholine receptor subunit alpha-3
Peptide B name
Neuronal acetylcholine receptor subunit beta-4
Peptide A accession
P32297
Peptide B accession
P30926
Peptide A residue number
269
Peptide B residue number
260

Ligandability

Cysteine 269 of Neuronal acetylcholine receptor subunit alpha-3

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 260 of Neuronal acetylcholine receptor subunit beta-4

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 Neuronal acetylcholine receptor subunit alpha-3 between cysteines 223 and 224 (192 and 193 respectively in this structure).

Details

Redox score ?
88
PDB code
6pv8
Structure name
human alpha3beta4 nicotinic acetylcholine receptor in complex with at- 1001
Structure deposition date
2019-07-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
41
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32297
Residue number A
223
Residue number B
224
Peptide name
Neuronal acetylcholine receptor subunit alpha-3

Ligandability

Cysteine 223 of Neuronal acetylcholine receptor subunit alpha-3

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 224 of Neuronal acetylcholine receptor subunit alpha-3

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 Neuronal acetylcholine receptor subunit alpha-3 between cysteines 159 and 173 (128 and 142 respectively in this structure).

Details

Redox score ?
82
PDB code
6pv7
Structure name
human alpha3beta4 nicotinic acetylcholine receptor in complex with nicotine
Structure deposition date
2019-07-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32297
Residue number A
159
Residue number B
173
Peptide name
Neuronal acetylcholine receptor subunit alpha-3

Ligandability

Cysteine 159 of Neuronal acetylcholine receptor subunit alpha-3

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 173 of Neuronal acetylcholine receptor subunit alpha-3

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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