ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Neuronal acetylcholine receptor subunit alpha-4

Intermolecular
Cysteine 271 and cysteine 262 of Neuronal acetylcholine receptor subunit beta-2
Cysteine 271 and cysteine 271
Intramolecular
Cysteine 225 and cysteine 226
Cysteine 161 and cysteine 175
Cysteine 254 and cysteine 610
Cysteine 259 and cysteine 610
Cysteine 254 and cysteine 259
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 between two units of Neuronal acetylcholine receptor subunit alpha-4 at cysteines 271 and 271 (245 and 245 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
6cnk
Structure name
structure of the 3alpha2beta stiochiometry of the human alpha4beta2 nicotinic receptor
Structure deposition date
2018-03-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
12
% buried
87
Peptide A name
Neuronal acetylcholine receptor subunit alpha-4
Peptide B name
Neuronal acetylcholine receptor subunit alpha-4
Peptide A accession
P43681
Peptide B accession
P43681
Peptide A residue number
271
Peptide B residue number
271

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 within Neuronal acetylcholine receptor subunit alpha-4 between cysteines 225 and 226 (199 and 200 respectively in this structure).

Details

Redox score ?
87
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 ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P43681
Residue number A
225
Residue number B
226
Peptide name
Neuronal acetylcholine receptor subunit alpha-4

Ligandability

Cysteine 225 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 226 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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-4 between cysteines 161 and 175 (135 and 149 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 ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
P43681
Residue number A
161
Residue number B
175
Peptide name
Neuronal acetylcholine receptor subunit alpha-4

Ligandability

Cysteine 161 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 175 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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-4 between cysteines 254 and 610 (18 and 121 respectively in this structure).

Details

Redox score ?
67
PDB code
2lly
Structure name
nmr structures of the transmembrane domains of the nachr a4 subunit
Structure deposition date
2011-11-18
Thiol separation (Å)
5
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
48
Peptide accession
P43681
Residue number A
254
Residue number B
610
Peptide name
Neuronal acetylcholine receptor subunit alpha-4

Ligandability

Cysteine 254 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 610 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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-4 between cysteines 259 and 610 (233 and 369 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5kxi
Structure name
x-ray structure of the human alpha4beta2 nicotinic receptor
Structure deposition date
2016-07-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
48
Peptide accession
P43681
Residue number A
259
Residue number B
610
Peptide name
Neuronal acetylcholine receptor subunit alpha-4

Ligandability

Cysteine 259 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 610 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.

A redox-regulated disulphide may form within Neuronal acetylcholine receptor subunit alpha-4 between cysteines 254 and 259 (228 and 233 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
6cnk
Structure name
structure of the 3alpha2beta stiochiometry of the human alpha4beta2 nicotinic receptor
Structure deposition date
2018-03-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
72
Peptide accession
P43681
Residue number A
254
Residue number B
259
Peptide name
Neuronal acetylcholine receptor subunit alpha-4

Ligandability

Cysteine 254 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 259 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.

If this tool was useful for finding a disulphide, please cite: