If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

CNR1_HUMAN_96_416_TM

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

Composition of the binding site

Protein chains monomer
A1 (CNR1_HUMAN):101:105, 108, 118:120, 123, 166, 167, 170, 171, 173:175, 177, 178, 189, 192, 193, 196, 197, 200, 267:269, 271, 275, 276, 279, 356, 359, 363, 379, 380, 383, 384, 386, 387, 390101:105, 108, 118:120, 123, 166, 167, 170, 171, 173:175, 177, 178, 189, 192, 193, 196, 197, 200, 267:269, 271, 275, 276, 279, 356, 359, 363, 379, 380, 383, 384, 386, 387, 390

Full PDB list

5tgz, 5u09, 5xr8, 5xra

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
F
1
0
2
M
1
0
3
D
1
0
4
I
1
0
5
F
1
0
8
I
1
1
9
S
1
2
3
G
1
6
6
S
1
6
7
F
1
7
0
S
1
7
3
F
1
7
4
F
1
7
7
F
1
8
9
L
1
9
3
V
1
9
6
T
1
9
7
I
2
6
7
F
2
6
8
P
2
6
9
I
2
7
1
Y
2
7
5
L
2
7
6
W
2
7
9
W
3
5
6
L
3
5
9
M
3
6
3
F
3
7
9
A
3
8
0
S
3
8
3
M
3
8
4
C
3
8
6
L
3
8
7
[1]5xr8.a 8d029 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5xra.a 8d328 - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5tgz.a zdg33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5u09.a 7dy36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
N
1
0
1
F
1
0
2
M
1
0
3
D
1
0
4
I
1
0
5
F
1
0
8
A
1
1
8
I
1
1
9
A
1
2
0
S
1
2
3
G
1
6
6
S
1
6
7
F
1
7
0
V
1
7
1
S
1
7
3
F
1
7
4
I
1
7
5
F
1
7
7
H
1
7
8
F
1
8
9
K
1
9
2
L
1
9
3
V
1
9
6
T
1
9
7
F
2
0
0
I
2
6
7
F
2
6
8
P
2
6
9
I
2
7
1
Y
2
7
5
L
2
7
6
W
2
7
9
W
3
5
6
L
3
5
9
M
3
6
3
F
3
7
9
A
3
8
0
S
3
8
3
M
3
8
4
C
3
8
6
L
3
8
7
S
3
9
0
[1]5xr8.a - . . . . . . * . . . . * . . * . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]5xra.a - - - . . . . * . . . . * . . * . . * . . . . . * . . . . . . . . . . . . . . . . .
[2]5tgz.a . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . .
[2]5u09.a . * . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . .

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

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

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
5xr8.a:8d0
5xra.a:8d3
5tgz.a:zdg
5u09.a:7dy
[1] 5xr8.a
0.2
0.1 12 9.6
[1] 5xra.a 0.1
0
12 9.3
[2] 5tgz.a 4.3 4.2
0
1.8
[2] 5u09.a 4.6 3.7 1.2
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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

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

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
5xr8.a
5xra.a
5tgz.a
5u09.a
[1] 5xr8.a
0
.04 .46 .42
[1] 5xra.a .04
0
.48 .44
[2] 5tgz.a .46 .48
0
.10
[2] 5u09.a .42 .44 .10
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 3.1 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone 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
5xr8.a
5xra.a
5tgz.a
5u09.a
[1] 5xr8.a
0
0.5 5.1 5.0
[1] 5xra.a 0.5
0
3.8 3.8
[2] 5tgz.a 5.1 3.8
0
1.3
[2] 5u09.a 5.0 3.8 1.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.5 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
5xr8.a
5xra.a
5tgz.a
5u09.a
[1] 5xr8.a
0
0.8 5.5 5.4
[1] 5xra.a 0.8
0
4.5 4.4
[2] 5tgz.a 5.5 4.5
0
1.9
[2] 5u09.a 5.4 4.4 1.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

loading...