ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neuronal acetylcholine receptor subunit alpha-7

Intermolecular
Cysteine 212 and cysteine 54 of Alpha-bungarotoxin isoform V31
Intramolecular
Cysteine 150 and cysteine 164
Cysteine 212 and cysteine 213
Cysteine 241 and cysteine 482
Cysteine 339 and cysteine 465
Cysteine 339 and cysteine 471
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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-7 between cysteines 150 and 164 (127 and 141 respectively in this structure).

Details

Redox score ?
82
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)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P36544
Residue number A
150
Residue number B
164
Peptide name
Neuronal acetylcholine receptor subunit alpha-7

Ligandability

Cysteine 150 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 164 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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-7 between cysteines 212 and 213 (189 and 190 respectively in this structure).

Details

Redox score ?
75
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)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
7
% buried
66
Peptide accession
P36544
Residue number A
212
Residue number B
213
Peptide name
Neuronal acetylcholine receptor subunit alpha-7

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 213 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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-7 between cysteines 241 and 482 (219 and 460 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
7rpm
Structure name
structures of the intracellular domain and transmembrane domain of the human alpha7 nicotinic acetylcholine receptors
Structure deposition date
2021-08-03
Thiol separation (Å)
7
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
42
Peptide accession
P36544
Residue number A
241
Residue number B
482
Peptide name
Neuronal acetylcholine receptor subunit alpha-7

Ligandability

Cysteine 241 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 482 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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-7 between cysteines 339 and 465 (317 and 443 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7rpm
Structure name
structures of the intracellular domain and transmembrane domain of the human alpha7 nicotinic acetylcholine receptors
Structure deposition date
2021-08-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
51
Peptide accession
P36544
Residue number A
339
Residue number B
465
Peptide name
Neuronal acetylcholine receptor subunit alpha-7

Ligandability

Cysteine 339 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 465 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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-7 between cysteines 339 and 471. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7ekp
Structure name
human alpha 7 nicotinic acetylcholine receptor bound to evp-6124
Structure deposition date
2021-04-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
38
Peptide accession
P36544
Residue number A
339
Residue number B
471
Peptide name
Neuronal acetylcholine receptor subunit alpha-7

Ligandability

Cysteine 339 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 471 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.

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