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GRK5_HUMAN_1_590

G protein-coupled receptor kinase 5 [Protein kinase superfamily. AGC Ser/Thr protein kinase family. GPRK subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (GRK5_HUMAN):D: Protein kinase (192:200, 213, 215, 217, 230, 231, 234, 263:266, 270, 313, 315, 316, 318, 328, 329, 331)192:200, 213, 215, 217, 230, 231, 234, 263:266, 270, 313, 315, 316, 318, 328, 329, 331, 470

Full PDB list

4tnb, 4tnd, 4wnk

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
1
9
2
G
1
9
3
K
1
9
4
G
1
9
5
G
1
9
6
F
1
9
7
G
1
9
8
E
1
9
9
V
2
0
0
A
2
1
3
K
2
1
5
L
2
1
7
M
2
3
0
A
2
3
1
E
2
3
4
L
2
6
3
T
2
6
4
I
2
6
5
M
2
6
6
D
2
7
0
E
3
1
5
N
3
1
6
L
3
1
8
S
3
2
8
D
3
2
9
G
3
3
1
R
4
7
0
[1]4tnb.a sgv22 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4tnd.a anp,mg32 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4wnk.a 45337 . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
L
1
9
2
G
1
9
3
K
1
9
4
G
1
9
5
G
1
9
6
F
1
9
7
G
1
9
8
E
1
9
9
V
2
0
0
A
2
1
3
K
2
1
5
L
2
1
7
M
2
3
0
A
2
3
1
E
2
3
4
L
2
6
3
T
2
6
4
I
2
6
5
M
2
6
6
D
2
7
0
K
3
1
3
E
3
1
5
N
3
1
6
L
3
1
8
S
3
2
8
D
3
2
9
G
3
3
1
R
4
7
0
[1]4tnb.a . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4tnd.a . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]4wnk.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
4tnb.a:sgv
4tnd.a:anp,mg
4wnk.a:453
[1] 4tnb.a
0
0.3 1.4
[1] 4tnd.a 0.7
0.1
0.7
[1] 4wnk.a 1.8 2.4
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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
4tnb.a
4tnd.a
4wnk.a
[1] 4tnb.a
0
.06 .17
[1] 4tnd.a .06
0
.16
[1] 4wnk.a .17 .16
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
4tnb.a
4tnd.a
4wnk.a
[1] 4tnb.a
0
0.3 1.7
[1] 4tnd.a 0.3
0
1.8
[1] 4wnk.a 1.7 1.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
4tnb.a
4tnd.a
4wnk.a
[1] 4tnb.a
0
0.8 3.2
[1] 4tnd.a 0.8
0
3.4
[1] 4wnk.a 3.2 3.4
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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