ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neuronal acetylcholine receptor subunit alpha-9

Intermolecular
Cysteine 219 and cysteine 54 of Alpha-bungarotoxin isoform V31
Intramolecular
Cysteine 155 and cysteine 169
Cysteine 219 and cysteine 220
A redox-regulated disulphide may form between cysteine 219 of Neuronal acetylcholine receptor subunit alpha-9 and cysteine 54 of Alpha-bungarotoxin isoform V31 (194 and 33 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4uy2
Structure name
crystal structure of the complex of the extracellular domain of human alpha9 nachr with alpha-bungarotoxin
Structure deposition date
2014-08-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
43
Minimum pKa ?
11
% buried
nan
Peptide A name
Neuronal acetylcholine receptor subunit alpha-9
Peptide B name
Alpha-bungarotoxin isoform V31
Peptide A accession
Q9UGM1
Peptide B accession
P60616
Peptide A residue number
219
Peptide B residue number
54

Ligandability

Cysteine 219 of Neuronal acetylcholine receptor subunit alpha-9

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 54 of Alpha-bungarotoxin isoform V31

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-9 between cysteines 155 and 169 (130 and 144 respectively in this structure).

Details

Redox score ?
84
PDB code
4uy2
Structure name
crystal structure of the complex of the extracellular domain of human alpha9 nachr with alpha-bungarotoxin
Structure deposition date
2014-08-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UGM1
Residue number A
155
Residue number B
169
Peptide name
Neuronal acetylcholine receptor subunit alpha-9

Ligandability

Cysteine 155 of Neuronal acetylcholine receptor subunit alpha-9

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 169 of Neuronal acetylcholine receptor subunit alpha-9

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-9 between cysteines 219 and 220 (194 and 195 respectively in this structure).

Details

Redox score ?
80
PDB code
4uy2
Structure name
crystal structure of the complex of the extracellular domain of human alpha9 nachr with alpha-bungarotoxin
Structure deposition date
2014-08-28
Thiol separation (Å)
3
Half-sphere exposure sum ?
49
Minimum pKa ?
8
% buried
20
Peptide accession
Q9UGM1
Residue number A
219
Residue number B
220
Peptide name
Neuronal acetylcholine receptor subunit alpha-9

Ligandability

Cysteine 219 of Neuronal acetylcholine receptor subunit alpha-9

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 220 of Neuronal acetylcholine receptor subunit alpha-9

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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