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ACM2_HUMAN_1_466_alloECL

Muscarinic acetylcholine receptor M2 [G-protein coupled receptor 1 family. Muscarinic acetylcholine receptor subfamily. CHRM2 sub-subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ACM2_HUMAN):R: Agonist binding (426)
80, 83, 172, 177, 181, 410, 414, 419, 422, 423
80, 83, 172, 177, 181, 410, 414, 419, 422, 423, 426
Cofactors (cF):ixo

Full PDB list

3uon, 4mqs, 4mqt (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 cF
Y
8
0
Y
8
3
Y
1
7
7
F
1
8
1
N
4
1
0
A
4
1
4
N
4
1
9
W
4
2
2
T
4
2
3
Y
4
2
6
[1]4mqs.a none . . . . . . . . . . ixo
[1]4mqt.a 2cu29 . . . . . . . . . . ixo

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

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PDB.ch
A1 cF
Y
8
0
Y
8
3
E
1
7
2
Y
1
7
7
F
1
8
1
N
4
1
0
A
4
1
4
N
4
1
9
W
4
2
2
T
4
2
3
Y
4
2
6
[1]4mqs.a . . . . * . . . . . . ixo
[1]4mqt.a . . . . . . . . . . . ixo

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
4mqs.a is apo
4mqt.a:2cu
[1] 4mqs.a
-
2.0
[1] 4mqt.a -
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
4mqs.a
4mqt.a
[1] 4mqs.a
0
.14
[1] 4mqt.a .14
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
4mqs.a
4mqt.a
[1] 4mqs.a
0
0.3
[1] 4mqt.a 0.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
4mqs.a
4mqt.a
[1] 4mqs.a
0
0.7
[1] 4mqt.a 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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