ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Muscarinic acetylcholine receptor M3

Intramolecular
Cysteine 141 and cysteine 221
Cysteine 517 and cysteine 520
Cysteine 561 and cysteine 563
Cysteine 543 and cysteine 547
Cysteine 112 and cysteine 533
Cysteine 1003 and cysteine 1097
Cysteine 1021 and cysteine 562
A redox-regulated disulphide may form within Muscarinic acetylcholine receptor M3 between cysteines 141 and 221.

Details

Redox score ?
86
PDB code
8ea0
Structure name
cryoem structure of minigq-coupled hm3r in complex with iperoxo (local refinement)
Structure deposition date
2022-08-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20309
Residue number A
141
Residue number B
221
Peptide name
Muscarinic acetylcholine receptor M3

Ligandability

Cysteine 141 of Muscarinic acetylcholine receptor M3

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 221 of Muscarinic acetylcholine receptor M3

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 M3 between cysteines 517 and 520.

Details

Redox score ?
85
PDB code
8e9w
Structure name
cryoem structure of minigq-coupled hm3dq in complex with dcz
Structure deposition date
2022-08-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
31
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20309
Residue number A
517
Residue number B
520
Peptide name
Muscarinic acetylcholine receptor M3

Ligandability

Cysteine 517 of Muscarinic acetylcholine receptor M3

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 520 of Muscarinic acetylcholine receptor M3

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 M3 between cysteines 561 and 563.

Details

Redox score ?
69
PDB code
8ea0
Structure name
cryoem structure of minigq-coupled hm3r in complex with iperoxo (local refinement)
Structure deposition date
2022-08-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
0
Peptide accession
P20309
Residue number A
561
Residue number B
563
Peptide name
Muscarinic acetylcholine receptor M3

Ligandability

Cysteine 561 of Muscarinic acetylcholine receptor M3

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 563 of Muscarinic acetylcholine receptor M3

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 M3 between cysteines 543 and 547. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
8e9w
Structure name
cryoem structure of minigq-coupled hm3dq in complex with dcz
Structure deposition date
2022-08-27
Thiol separation (Å)
6
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
60
Peptide accession
P20309
Residue number A
543
Residue number B
547
Peptide name
Muscarinic acetylcholine receptor M3

Ligandability

Cysteine 543 of Muscarinic acetylcholine receptor M3

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 547 of Muscarinic acetylcholine receptor M3

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 M3 between cysteines 112 and 533 (149 and 533 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
8e9y
Structure name
cryoem structure of minigq-coupled hm3dq in complex with cno
Structure deposition date
2022-08-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
13
% buried
100
Peptide accession
P20309
Residue number A
112
Residue number B
533
Peptide name
Muscarinic acetylcholine receptor M3

Ligandability

Cysteine 112 of Muscarinic acetylcholine receptor M3

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 533 of Muscarinic acetylcholine receptor M3

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 149 has been assigned to correct residue.
A redox-regulated disulphide may form within Muscarinic acetylcholine receptor M3 between cysteines 1003 and 1097.

Details

Redox score ?
nan
PDB code
4u14
Structure name
structure of the m3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with disulfide-stabilized t4 lysozyme (dst4l)
Structure deposition date
2014-07-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08483
Residue number A
1003
Residue number B
1097
Peptide name
Muscarinic acetylcholine receptor M3

Ligandability

Cysteine 1003 of Muscarinic acetylcholine receptor M3

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 1097 of Muscarinic acetylcholine receptor M3

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 1003 in protein A could not be asigned to a Uniprot residue.
Cysteine 1097 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Muscarinic acetylcholine receptor M3 between cysteines 1021 and 562 (1021 and 1142 respectively in this structure).

Details

Redox score ?
nan
PDB code
4u14
Structure name
structure of the m3 muscarinic acetylcholine receptor bound to the antagonist tiotropium crystallized with disulfide-stabilized t4 lysozyme (dst4l)
Structure deposition date
2014-07-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08483
Residue number A
1021
Residue number B
562
Peptide name
Muscarinic acetylcholine receptor M3

Ligandability

Cysteine 1021 of Muscarinic acetylcholine receptor M3

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 562 of Muscarinic acetylcholine receptor M3

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 1021 in protein A could not be asigned to a Uniprot residue.
Uncertain whether structure cysteine 1142 has been assigned to correct residue.
If this tool was useful for finding a disulphide, please cite: