ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alpha-bungarotoxin isoform V31

Intermolecular
Cysteine 212 of Cholinergic receptor nicotinic alpha 1 subunit and cysteine 54
Cysteine 219 of Neuronal acetylcholine receptor subunit alpha-9 and cysteine 54
Cysteine 212 of Neuronal acetylcholine receptor subunit alpha-7 and cysteine 54
A redox-regulated disulphide may form between cysteine 212 of Cholinergic receptor nicotinic alpha 1 subunit and cysteine 54 of Alpha-bungarotoxin isoform V31 (192 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 ?
40
PDB code
5hbt
Structure name
complex structure of fab35 and human nachr alpha1
Structure deposition date
2016-01-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
43
Minimum pKa ?
nan
% buried
nan
Peptide A name
Cholinergic receptor nicotinic alpha 1 subunit
Peptide B name
Alpha-bungarotoxin isoform V31
Peptide A accession
G5E9G9
Peptide B accession
P60616
Peptide A residue number
212
Peptide B residue number
54

Ligandability

Cysteine 212 of Cholinergic receptor nicotinic alpha 1 subunit

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 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 between cysteine 212 of Neuronal acetylcholine receptor subunit alpha-7 and cysteine 54 of Alpha-bungarotoxin isoform V31 (189 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 ?
26
PDB code
7koo
Structure name
alpha-7 nicotinic acetylcholine receptor bound to alpha-bungarotoxin in a resting state
Structure deposition date
2020-11-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
52
Minimum pKa ?
15
% buried
nan
Peptide A name
Neuronal acetylcholine receptor subunit alpha-7
Peptide B name
Alpha-bungarotoxin isoform V31
Peptide A accession
P36544
Peptide B accession
P60616
Peptide A residue number
212
Peptide B residue number
54

Ligandability

Cysteine 212 of Neuronal acetylcholine receptor subunit alpha-7

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.

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