ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Muscarinic acetylcholine receptor M4

Intermolecular
Cysteine 351 of Guanine nucleotide-binding protein G(i) subunit alpha-1 and cysteine 133
Cysteine 133 and cysteine 351 of Guanine nucleotide-binding protein G(o) subunit alpha
Cysteine 351 of Guanine nucleotide-binding protein G(i) subunit alpha-1 and cysteine 456
Intramolecular
Cysteine 426 and cysteine 429
Cysteine 105 and cysteine 185
Cysteine 452 and cysteine 456
Cysteine 76 and cysteine 1188
Cysteine 353 and cysteine 76
A redox-regulated disulphide may form between cysteine 351 of Guanine nucleotide-binding protein G(i) subunit alpha-1 and cysteine 133 of Muscarinic acetylcholine receptor M4.

Details

Redox score ?
72
PDB code
7v6a
Structure name
cry-em structure of m4-c110-g protein complex
Structure deposition date
2021-08-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
8
% buried
84
Peptide A name
Guanine nucleotide-binding protein G(i) subunit alpha-1
Peptide B name
Muscarinic acetylcholine receptor M4
Peptide A accession
P63096
Peptide B accession
P08173
Peptide A residue number
351
Peptide B residue number
133

Ligandability

Cysteine 351 of Guanine nucleotide-binding protein G(i) subunit alpha-1

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 133 of Muscarinic acetylcholine receptor M4

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 133 of Muscarinic acetylcholine receptor M4 and cysteine 351 of Guanine nucleotide-binding protein G(o) subunit alpha (133 and 222 respectively in this structure).

Details

Redox score ?
68
PDB code
8e9x
Structure name
cryoem structure of minigo-coupled hm4di in complex with dcz
Structure deposition date
2022-08-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
86
Peptide A name
Muscarinic acetylcholine receptor M4
Peptide B name
Guanine nucleotide-binding protein G(o) subunit alpha
Peptide A accession
P08173
Peptide B accession
P09471
Peptide A residue number
133
Peptide B residue number
351

Ligandability

Cysteine 133 of Muscarinic acetylcholine receptor M4

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 351 of Guanine nucleotide-binding protein G(i) subunit alpha-1 and cysteine 456 of Muscarinic acetylcholine receptor M4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7v69
Structure name
cryo-em structure of a class a gpcr-g protein complex
Structure deposition date
2021-08-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
79
Peptide A name
Guanine nucleotide-binding protein G(i) subunit alpha-1
Peptide B name
Muscarinic acetylcholine receptor M4
Peptide A accession
P63096
Peptide B accession
P08173
Peptide A residue number
351
Peptide B residue number
456

Ligandability

Cysteine 351 of Guanine nucleotide-binding protein G(i) subunit alpha-1

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 456 of Muscarinic acetylcholine receptor M4

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 M4 between cysteines 426 and 429.

Details

Redox score ?
87
PDB code
6kp6
Structure name
the structural study of mutation induced inactivation of human muscarinic receptor m4
Structure deposition date
2019-08-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
29
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08173
Residue number A
426
Residue number B
429
Peptide name
Muscarinic acetylcholine receptor M4

Ligandability

Cysteine 426 of Muscarinic acetylcholine receptor M4

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 429 of Muscarinic acetylcholine receptor M4

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 M4 between cysteines 105 and 185.

Details

Redox score ?
84
PDB code
5dsg
Structure name
structure of the m4 muscarinic acetylcholine receptor (m4-mt4l) bound to tiotropium
Structure deposition date
2015-09-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08173
Residue number A
105
Residue number B
185
Peptide name
Muscarinic acetylcholine receptor M4

Ligandability

Cysteine 105 of Muscarinic acetylcholine receptor M4

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 185 of Muscarinic acetylcholine receptor M4

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 M4 between cysteines 452 and 456.

Details

Redox score ?
61
PDB code
6kp6
Structure name
the structural study of mutation induced inactivation of human muscarinic receptor m4
Structure deposition date
2019-08-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
56
Minimum pKa ?
10
% buried
39
Peptide accession
P08173
Residue number A
452
Residue number B
456
Peptide name
Muscarinic acetylcholine receptor M4

Ligandability

Cysteine 452 of Muscarinic acetylcholine receptor M4

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 456 of Muscarinic acetylcholine receptor M4

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 M4 between cysteines 76 and 1188 (1133 and 1188 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
6kp6
Structure name
the structural study of mutation induced inactivation of human muscarinic receptor m4
Structure deposition date
2019-08-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
74
Peptide accession
P08173
Residue number A
76
Residue number B
1188
Peptide name
Muscarinic acetylcholine receptor M4

Ligandability

Cysteine 76 of Muscarinic acetylcholine receptor M4

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 1188 of Muscarinic acetylcholine receptor M4

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 1188 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Muscarinic acetylcholine receptor M4 between cysteines 353 and 76 (1004 and 1133 respectively in this structure).

Details

Redox score ?
nan
PDB code
6kp6
Structure name
the structural study of mutation induced inactivation of human muscarinic receptor m4
Structure deposition date
2019-08-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
68
Minimum pKa ?
9
% buried
48
Peptide accession
P08173
Residue number A
353
Residue number B
76
Peptide name
Muscarinic acetylcholine receptor M4

Ligandability

Cysteine 353 of Muscarinic acetylcholine receptor M4

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 76 of Muscarinic acetylcholine receptor M4

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.

Uncertain whether structure cysteine 1004 has been assigned to correct residue.
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