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AA2AR_HUMAN_1_315_Galpha

Adenosine receptor A2a [G-protein coupled receptor 1 family]

Composition of the binding site

Protein chains monomer
A1 (AA2AR_HUMAN):39, 41, 42, 45, 102, 105, 106, 112, 200, 201, 204, 223:235, 288, 291:293, 295, 29639, 41, 42, 45, 102, 105, 106, 112, 200, 201, 204, 223:235, 288, 291:293, 295, 296

Full PDB list

2ydo, 2ydv, 3eml, 3pwh, 3qak, 3rey, 3uza, 3uzc, 3vg9, 3vga, 4eiy, 4ug2, 4uhr, 5g53, 5iu4, 5iu7, 5iu8, 5iua, 5iub, 5k2a, 5k2b, 5k2c, 5k2d, 5uig (redundant Pocketome entry); 5jtb, 5mzj, 5mzp, 5n2r, 5nlx, 5nm2, 5nm4, 5uvi (unprocessed)

Pocket contact map

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PDB.ch
   
ligand
A1
N
3
9
T
4
1
N
4
2
R
1
0
2
A
1
0
5
I
1
0
6
Y
1
1
2
I
2
0
0
A
2
0
4
E
2
2
8
A
2
3
1
L
2
3
5
R
2
9
1
I
2
9
2
R
2
9
3
R
2
9
6
[1]3uza.a none . . . . . . . . . . . A . . . .
[1]3vg9.a Y12 . . . . . . . . . . . . . . . .
[1]4uhr.a none . . . . . . . . . . . . . . . .
[2]5g53.a HLRQYEL57 . . . . . . . . . . . . . . . .

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
N
3
9
T
4
1
N
4
2
V
4
5
R
1
0
2
A
1
0
5
I
1
0
6
Y
1
1
2
I
2
0
0
F
2
0
1
A
2
0
4
S
2
2
3
T
2
2
4
L
2
2
5
Q
2
2
6
K
2
2
7
E
2
2
8
V
2
2
9
H
2
3
0
A
2
3
1
A
2
3
2
K
2
3
3
S
2
3
4
L
2
3
5
Y
2
8
8
R
2
9
1
I
2
9
2
R
2
9
3
F
2
9
5
R
2
9
6
[1]3uza.a . . . . . . . . . . . . . * . * * * * * . . . A . . . . . .
[1]3vg9.a . . . . * . . . . . . . . * . * * * * * . . . . . . . . . .
[1]4uhr.a . . . . * . . . . . . . . . . * * * * * . . . . . . . . . .
[2]5g53.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
3uza.a is apo
3vg9.a:Y
4uhr.a is apo
5g53.a:HLRQYEL
[1] 3uza.a
-
0.3 - 23
[1] 3vg9.a -
0
- 22
[1] 4uhr.a - 0.1
-
18
[2] 5g53.a - 0.1 -
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
3uza.a
3vg9.a
4uhr.a
5g53.a
[1] 3uza.a
0
.13 .18 .72
[1] 3vg9.a .13
0
.17 .69
[1] 4uhr.a .18 .17
0
.57
[2] 5g53.a .72 .69 .57
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 3.7 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
3uza.a
3vg9.a
4uhr.a
5g53.a
[1] 3uza.a
0
1.6 2.7 7.8
[1] 3vg9.a 1.6
0
2.5 7.1
[1] 4uhr.a 2.7 2.5
0
6.0
[2] 5g53.a 7.8 7.1 6.0
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.6 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
3uza.a
3vg9.a
4uhr.a
5g53.a
[1] 3uza.a
0
2.7 3.6 7.7
[1] 3vg9.a 2.7
0
3.7 7.3
[1] 4uhr.a 3.6 3.7
0
6.3
[2] 5g53.a 7.7 7.3 6.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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