ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neuronal acetylcholine receptor subunit beta-2

Intermolecular
Cysteine 262 and cysteine 262
Cysteine 271 of Neuronal acetylcholine receptor subunit alpha-4 and cysteine 262
Intramolecular
Cysteine 155 and cysteine 169
Cysteine 245 and cysteine 470
Cysteine 262 and cysteine 269
A redox-regulated disulphide may form between two units of Neuronal acetylcholine receptor subunit beta-2 at cysteines 262 and 262 (237 and 237 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
6cnj
Structure name
structure of the 2alpha3beta stiochiometry of the human alpha4beta2 nicotinic receptor
Structure deposition date
2018-03-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
12
% buried
86
Peptide A name
Neuronal acetylcholine receptor subunit beta-2
Peptide B name
Neuronal acetylcholine receptor subunit beta-2
Peptide A accession
P17787
Peptide B accession
P17787
Peptide A residue number
262
Peptide B residue number
262

Ligandability

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 271 of Neuronal acetylcholine receptor subunit alpha-4 and cysteine 262 of Neuronal acetylcholine receptor subunit beta-2 (245 and 237 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
6ur8
Structure name
cryoem structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline
Structure deposition date
2019-10-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
12
% buried
84
Peptide A name
Neuronal acetylcholine receptor subunit alpha-4
Peptide B name
Neuronal acetylcholine receptor subunit beta-2
Peptide A accession
P43681
Peptide B accession
P17787
Peptide A residue number
271
Peptide B residue number
262

Ligandability

Cysteine 271 of Neuronal acetylcholine receptor subunit alpha-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.

Cysteine 262 of Neuronal acetylcholine receptor subunit beta-2

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 beta-2 between cysteines 155 and 169 (130 and 144 respectively in this structure).

Details

Redox score ?
82
PDB code
5kxi
Structure name
x-ray structure of the human alpha4beta2 nicotinic receptor
Structure deposition date
2016-07-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
P17787
Residue number A
155
Residue number B
169
Peptide name
Neuronal acetylcholine receptor subunit beta-2

Ligandability

Cysteine 155 of Neuronal acetylcholine receptor subunit beta-2

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 beta-2

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 beta-2 between cysteines 245 and 470 (18 and 121 respectively in this structure).

Details

Redox score ?
61
PDB code
2lm2
Structure name
nmr structures of the transmembrane domains of the achr b2 subunit
Structure deposition date
2011-11-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
54
Minimum pKa ?
10
% buried
48
Peptide accession
P17787
Residue number A
245
Residue number B
470
Peptide name
Neuronal acetylcholine receptor subunit beta-2

Ligandability

Cysteine 245 of Neuronal acetylcholine receptor subunit beta-2

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 470 of Neuronal acetylcholine receptor subunit beta-2

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 beta-2 between cysteines 262 and 269 (56 and 63 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
2ksr
Structure name
nmr structures of tm domain of the n-acetylcholine receptor b2 subunit
Structure deposition date
2010-01-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
46
Minimum pKa ?
9
% buried
25
Peptide accession
P17787
Residue number A
262
Residue number B
269
Peptide name
Neuronal acetylcholine receptor subunit beta-2

Ligandability

Cysteine 262 of Neuronal acetylcholine receptor subunit beta-2

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 269 of Neuronal acetylcholine receptor subunit beta-2

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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