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ADRB2_HUMAN_26_357_EH234

Beta-2 adrenergic receptor [G-protein coupled receptor 1 family. Adrenergic receptor subfamily. ADRB2 sub-subfamily]

Composition of the binding site

Protein chains monomer
A1 (ADRB2_HUMAN):55, 59, 65, 70, 73, 74, 77, 80, 81, 84, 85, 108, 112, 115, 151, 154, 155, 158, 16655, 59, 65, 70, 73, 74, 77, 80, 81, 84, 85, 108, 112, 115, 151, 154, 155, 158, 166

Full PDB list

2r4r, 2r4s, 2rh1, 3d4s, 3kj6, 3ny8, 3ny9, 3nya, 3p0g, 3pds, 3sn6, 4gbr, 4lde, 4ldl, 4ldo, 4qkx, 5d5a, 5d5b, 5jqh, 5x7d (redundant Pocketome entry); 5d6l (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
5
5
Y
7
0
T
7
3
C
7
7
L
8
0
V
8
1
A
8
5
F
1
0
8
I
1
1
2
L
1
1
5
R
1
5
1
I
1
5
4
L
1
5
5
W
1
5
8
F
1
6
6
[1]3pds.a clr28 . . . . . . . . . . . . . . .
[1]4ldo.a none . . . . . . . . . . . . . . .
[1]5x7d.a clr,clr56 . . . . . . . . . . . . . . .

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
I
5
5
A
5
9
Q
6
5
Y
7
0
T
7
3
S
7
4
C
7
7
L
8
0
V
8
1
L
8
4
A
8
5
F
1
0
8
I
1
1
2
L
1
1
5
R
1
5
1
I
1
5
4
L
1
5
5
W
1
5
8
F
1
6
6
[1]3pds.a . . . . . . . . . . . . . . . . . . .
[1]4ldo.a . . . . . . . . . . . . . . . . . . .
[1]5x7d.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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
3pds.a:clr
4ldo.a is apo
5x7d.a:clr
[1] 3pds.a
0
- 0
[1] 4ldo.a 0.1
-
0
[1] 5x7d.a 0.2 -
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
3pds.a
4ldo.a
5x7d.a
[1] 3pds.a
0
.01 .01
[1] 4ldo.a .01
0
.01
[1] 5x7d.a .01 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
3pds.a
4ldo.a
5x7d.a
[1] 3pds.a
0
0.8 0.4
[1] 4ldo.a 0.8
0
0.8
[1] 5x7d.a 0.4 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
3pds.a
4ldo.a
5x7d.a
[1] 3pds.a
0
1.1 0.7
[1] 4ldo.a 1.1
0
1.1
[1] 5x7d.a 0.7 1.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

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