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CNR1_HUMAN_96_416_Galpha

Cannabinoid receptor 1 [G-protein coupled receptor 1 family]

Composition of the binding site

Protein chains monomer
A1 (CNR1_HUMAN):150:156, 209, 210, 213, 214, 227, 228, 232, 233, 236, 237, 341, 345150:156, 209, 210, 213, 214, 227, 228, 232, 233, 236, 237, 341, 345
Cofactors (cF):clr

Full PDB list

5tgz, 5u09, 5xr8, 5xra (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
P
1
5
1
S
1
5
2
H
1
5
4
F
1
5
5
I
1
5
6
L
2
0
9
T
2
1
0
D
2
1
3
I
2
2
7
V
2
2
8
A
2
3
3
F
2
3
7
L
3
4
1
[1]5tgz.a ola14 . . . . . . A . . . . . .
[1]5u09.a none . . . . . . A . . . . . .
[1]5xra.a olc13 . . . . . . A . . . . . . clr

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
R
1
5
0
P
1
5
1
S
1
5
2
Y
1
5
3
H
1
5
4
F
1
5
5
I
1
5
6
L
2
0
9
T
2
1
0
D
2
1
3
R
2
1
4
I
2
2
7
V
2
2
8
K
2
3
2
A
2
3
3
A
2
3
6
F
2
3
7
L
3
4
1
L
3
4
5
[1]5tgz.a . * . . . . . . A . . . . . . . . . .
[1]5u09.a . * . . . . . . A . . . . . . . . . .
[1]5xra.a . . . . . . . . A . . . . . . . . . . clr

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
5tgz.a:ola
5u09.a is apo
5xra.a:olc
[1] 5tgz.a
0
- 1.9
[1] 5u09.a 1.9
-
1.9
[1] 5xra.a 0.1 -
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
5tgz.a
5u09.a
5xra.a
[1] 5tgz.a
0
.10 .10
[1] 5u09.a .10
0
.17
[1] 5xra.a .10 .17
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.6 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
5tgz.a
5u09.a
5xra.a
[1] 5tgz.a
0
1.1 3.2
[1] 5u09.a 1.1
0
3.7
[1] 5xra.a 3.2 3.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.1 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
5tgz.a
5u09.a
5xra.a
[1] 5tgz.a
0
1.6 3.6
[1] 5u09.a 1.6
0
4.2
[1] 5xra.a 3.6 4.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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