ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Muscarinic acetylcholine receptor M2

Intermolecular
Cysteine 124 and cysteine 351 of Guanine nucleotide-binding protein G(o) subunit alpha
Cysteine 443 and cysteine 351 of Guanine nucleotide-binding protein G(o) subunit alpha
Intramolecular
Cysteine 96 and cysteine 176
Cysteine 439 and cysteine 443
Cysteine 413 and cysteine 416
A redox-regulated disulphide may form between cysteine 124 of Muscarinic acetylcholine receptor M2 and cysteine 351 of Guanine nucleotide-binding protein G(o) subunit alpha.

Details

Redox score ?
72
PDB code
7t90
Structure name
cryo-em structure of ach-bound m2r-go signaling complex in s2 state
Structure deposition date
2021-12-17
Thiol separation (Å)
5
Half-sphere exposure sum ?
72
Minimum pKa ?
6
% buried
79
Peptide A name
Muscarinic acetylcholine receptor M2
Peptide B name
Guanine nucleotide-binding protein G(o) subunit alpha
Peptide A accession
P08172
Peptide B accession
P09471
Peptide A residue number
124
Peptide B residue number
351

Ligandability

Cysteine 124 of Muscarinic acetylcholine receptor M2

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 351 of Guanine nucleotide-binding protein G(o) subunit alpha

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 443 of Muscarinic acetylcholine receptor M2 and cysteine 351 of Guanine nucleotide-binding protein G(o) subunit alpha. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6oik
Structure name
muscarinic acetylcholine receptor 2-go complex
Structure deposition date
2019-04-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
10
% buried
88
Peptide A name
Muscarinic acetylcholine receptor M2
Peptide B name
Guanine nucleotide-binding protein G(o) subunit alpha
Peptide A accession
P08172
Peptide B accession
P09471
Peptide A residue number
443
Peptide B residue number
351

Ligandability

Cysteine 443 of Muscarinic acetylcholine receptor M2

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 351 of Guanine nucleotide-binding protein G(o) subunit alpha

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 Muscarinic acetylcholine receptor M2 between cysteines 96 and 176.

Details

Redox score ?
85
PDB code
4mqt
Structure name
structure of active human m2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator ly2119620
Structure deposition date
2013-09-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08172
Residue number A
96
Residue number B
176
Peptide name
Muscarinic acetylcholine receptor M2

Ligandability

Cysteine 96 of Muscarinic acetylcholine receptor M2

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 176 of Muscarinic acetylcholine receptor M2

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 Muscarinic acetylcholine receptor M2 between cysteines 439 and 443.

Details

Redox score ?
62
PDB code
3uon
Structure name
structure of the human m2 muscarinic acetylcholine receptor bound to an antagonist
Structure deposition date
2011-11-16
Thiol separation (Å)
6
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
34
Peptide accession
P08172
Residue number A
439
Residue number B
443
Peptide name
Muscarinic acetylcholine receptor M2

Ligandability

Cysteine 439 of Muscarinic acetylcholine receptor M2

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 443 of Muscarinic acetylcholine receptor M2

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 Muscarinic acetylcholine receptor M2 between cysteines 413 and 416. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7t90
Structure name
cryo-em structure of ach-bound m2r-go signaling complex in s2 state
Structure deposition date
2021-12-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
0
Peptide accession
P08172
Residue number A
413
Residue number B
416
Peptide name
Muscarinic acetylcholine receptor M2

Ligandability

Cysteine 413 of Muscarinic acetylcholine receptor M2

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 416 of Muscarinic acetylcholine receptor M2

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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