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ACM3_HUMAN_57_579

Muscarinic acetylcholine receptor M3 [G-protein coupled receptor 1 family. Muscarinic acetylcholine receptor subfamily. CHRM3 sub-subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ACM3_HUMAN):R: Agonist binding (148, 149, 152)
R: Agonist binding (507, 508, 511, 530)
153, 156, 200, 226, 232, 235, 236, 239, 240, 504, 533, 534
148, 149, 152, 153, 156, 200, 226, 232, 235, 236, 239, 240, 504, 507, 508, 511, 530, 533, 534

Full PDB list

4daj, 4u14, 4u15, 4u16 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
D
1
4
8
Y
1
4
9
S
1
5
2
N
1
5
3
W
2
0
0
T
2
3
2
T
2
3
5
A
2
3
6
A
2
3
9
F
2
4
0
W
5
0
4
Y
5
0
7
N
5
0
8
Y
5
3
0
C
5
3
3
Y
5
3
4
[1]4u15.a 0hk26 . . . . . . . . . . . . . . . .
[1]4u16.b 3c023 . . . . . . . . . . . . . . . .

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

[download in TSV format]
   
PDB.ch
A1
D
1
4
8
Y
1
4
9
S
1
5
2
N
1
5
3
V
1
5
6
W
2
0
0
L
2
2
6
T
2
3
2
T
2
3
5
A
2
3
6
A
2
3
9
F
2
4
0
W
5
0
4
Y
5
0
7
N
5
0
8
V
5
1
1
Y
5
3
0
C
5
3
3
Y
5
3
4
[1]4u15.a . . . . . . . . . . . . . . . . . . .
[1]4u16.b . . . . . . . . . . . . . . . . . . .

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
4u15.a:0hk
4u16.b:3c0
[1] 4u15.a
0
0.5
[1] 4u16.b 0
0.1
[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
4u15.a
4u16.b
[1] 4u15.a
0
.02
[1] 4u16.b .02
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
4u15.a
4u16.b
[1] 4u15.a
0
0.4
[1] 4u16.b 0.4
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

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
4u15.a
4u16.b
[1] 4u15.a
0
0.6
[1] 4u16.b 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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