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ARBK1_HUMAN_30_544

Beta-adrenergic receptor kinase 1 [Protein kinase superfamily. AGC Ser/Thr protein kinase family. GPRK subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ARBK1_HUMAN):D: Protein kinase (197:205, 218, 220, 222, 230, 232, 235, 236, 239, 255, 271:274, 278, 321, 322, 324, 334, 335, 337, 338)197:205, 218, 220, 222, 230, 232, 235, 236, 239, 255, 271:274, 278, 321, 322, 324, 334, 335, 337, 338, 479:482, 484

Full PDB list

1omw, 2bcj, 3cik, 3krw, 3krx, 3psc, 3pvu, 3pvw, 3v5w, 4mk0, 4pnk, 5he0, 5he1, 5he2, 5he3, 5ukk, 5ukl, 5ukm, 5uuu, 5uvc (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
1
9
7
G
1
9
8
R
1
9
9
G
2
0
0
G
2
0
1
F
2
0
2
G
2
0
3
E
2
0
4
V
2
0
5
A
2
1
8
K
2
2
0
L
2
2
2
K
2
3
0
L
2
3
5
A
2
3
6
E
2
3
9
V
2
5
5
L
2
7
1
D
2
7
2
L
2
7
3
M
2
7
4
D
2
7
8
A
3
2
1
N
3
2
2
L
3
2
4
S
3
3
4
D
3
3
5
G
3
3
7
L
3
3
8
A
4
8
0
D
4
8
1
A
4
8
2
[1]1omw.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]3krw.a ba140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]3pvu.a qrw34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]3pvw.a qrx34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]3v5w.a 8pr24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4mk0.a 29x25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4pnk.a kzq27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]5he0.a 45337 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]5he1.a zs241 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]5he2.a f0s41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]5he3.a ff140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]5ukk.a 8dj34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ukl.a six35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ukm.a t0e33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uvc.a 8pv29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -

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
I
1
9
7
G
1
9
8
R
1
9
9
G
2
0
0
G
2
0
1
F
2
0
2
G
2
0
3
E
2
0
4
V
2
0
5
A
2
1
8
K
2
2
0
L
2
2
2
K
2
3
0
G
2
3
2
L
2
3
5
A
2
3
6
E
2
3
9
V
2
5
5
L
2
7
1
D
2
7
2
L
2
7
3
M
2
7
4
D
2
7
8
A
3
2
1
N
3
2
2
L
3
2
4
S
3
3
4
D
3
3
5
G
3
3
7
L
3
3
8
A
4
7
9
A
4
8
0
D
4
8
1
A
4
8
2
D
4
8
4
[1]1omw.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - -
[1]3krw.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . - - - - -
[1]3pvu.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - -
[1]3pvw.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - -
[1]3v5w.a . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . .
[1]4mk0.a . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . -
[1]4pnk.a . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . - - - -
[1]5he0.a . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . - - - - -
[1]5he1.a . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . - - - - -
[1]5he2.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - -
[1]5he3.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . - - - - -
[1]5ukk.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ukl.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5ukm.a . . . . . * . . . . . . . . * . . . . . . . . . . . . . . . . . . . .
[1]5uvc.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
1omw.a is apo
3krw.a:ba1
3pvu.a:qrw
3pvw.a:qrx
3v5w.a:8pr
4mk0.a:29x
4pnk.a:kzq
5he0.a:453
5he1.a:zs2
5he2.a:f0s
5he3.a:ff1
5ukk.a:8dj
5ukl.a:six
5ukm.a:t0e
5uvc.a:8pv
[1] 1omw.a
-
1.2 1.4 1.1 0.7 0.3 0.7 1.3 2.0 1.6 0.6 1.8 1.3 1.1 0.1
[1] 3krw.a -
0.1
0.3 0.4 0.1 0.1 0.1 0 1.3 0.2 0.1 0.9 0.3 0 0
[1] 3pvu.a - 1.1
0
0.1 0.2 0.1 0.5 0.2 1.3 0.1 0.1 0.7 0.5 0.5 0
[1] 3pvw.a - 0.8 0.1
0
0 0 0.1 0.2 1.1 0.2 0.2 0.6 0.6 0.3 0
[1] 3v5w.a - 2.1 1.6 1.9
0
0.2 0.4 0.9 1.3 1.3 0.4 0.4 0.2 0.5 0.2
[1] 4mk0.a - 1.8 1.2 1.2 0
0
0.1 0.6 1.3 1.0 0.2 0.4 0.5 0.2 0
[1] 4pnk.a - 1.9 1.2 0.9 0.1 0.2
0.1
1.1 2.2 1.3 0.9 1.3 1.4 0.5 0.1
[1] 5he0.a - 1.2 1.6 1.6 0.2 0.2 0.8
0
1.4 0.1 0 1.2 0.7 0.4 0.3
[1] 5he1.a - 1.0 1.2 0.9 0 0.1 0.2 0.1
0
0.3 0 0.1 0.2 0.5 0.3
[1] 5he2.a - 1.4 1.2 1.1 0.3 0.2 0.7 0 0.8
0
0.2 1.0 0.5 0.4 0.4
[1] 5he3.a - 1.8 1.6 1.3 0.1 0.2 0.2 0.4 1.4 0.7
0
0.7 0.5 0.3 0.2
[1] 5ukk.a - 1.7 1.2 0.9 0.2 0.3 0.4 0.4 1.2 0.6 0.1
0.1
0.5 0.6 0.2
[1] 5ukl.a - 1.6 1.2 1.4 0 0.2 0.3 0.9 1.3 1.4 0.4 0.6
0
0.3 0.1
[1] 5ukm.a - 1.9 2.0 1.7 0 0.1 0.4 0.4 1.9 0.3 1.2 0.8 0.7
0
0.1
[1] 5uvc.a - 0.6 0.8 0.7 0.2 0.2 0.4 0.4 1.1 0.4 0.4 1.1 0.6 0.3
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
1omw.a
3krw.a
3pvu.a
3pvw.a
3v5w.a
4mk0.a
4pnk.a
5he0.a
5he1.a
5he2.a
5he3.a
5ukk.a
5ukl.a
5ukm.a
5uvc.a
[1] 1omw.a
0
.08 .08 .07 .11 .07 .07 .13 .11 .12 .10 .11 .10 .15 .09
[1] 3krw.a .08
0
.05 .05 .10 .07 .07 .09 .08 .07 .07 .08 .09 .13 .06
[1] 3pvu.a .08 .05
0
.04 .10 .07 .07 .10 .08 .08 .08 .08 .09 .14 .07
[1] 3pvw.a .07 .05 .04
0
.11 .07 .05 .11 .09 .10 .07 .09 .08 .14 .06
[1] 3v5w.a .11 .10 .10 .11
0
.07 .12 .11 .09 .10 .08 .06 .04 .10 .11
[1] 4mk0.a .07 .07 .07 .07 .07
0
.09 .10 .10 .09 .07 .07 .06 .09 .08
[1] 4pnk.a .07 .07 .07 .05 .12 .09
0
.11 .11 .12 .09 .10 .10 .15 .10
[1] 5he0.a .13 .09 .10 .11 .11 .10 .11
0
.06 .04 .08 .11 .12 .13 .07
[1] 5he1.a .11 .08 .08 .09 .09 .10 .11 .06
0
.05 .10 .07 .11 .15 .07
[1] 5he2.a .12 .07 .08 .10 .10 .09 .12 .04 .05
0
.08 .09 .12 .14 .05
[1] 5he3.a .10 .07 .08 .07 .08 .07 .09 .08 .10 .08
0
.09 .07 .10 .08
[1] 5ukk.a .11 .08 .08 .09 .06 .07 .10 .11 .07 .09 .09
0
.05 .12 .10
[1] 5ukl.a .10 .09 .09 .08 .04 .06 .10 .12 .11 .12 .07 .05
0
.13 .11
[1] 5ukm.a .15 .13 .14 .14 .10 .09 .15 .13 .15 .14 .10 .12 .13
0
.14
[1] 5uvc.a .09 .06 .07 .06 .11 .08 .10 .07 .07 .05 .08 .10 .11 .14
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
1omw.a
3krw.a
3pvu.a
3pvw.a
3v5w.a
4mk0.a
4pnk.a
5he0.a
5he1.a
5he2.a
5he3.a
5ukk.a
5ukl.a
5ukm.a
5uvc.a
[1] 1omw.a
0
0.8 0.8 0.8 0.7 0.7 0.8 0.8 0.8 0.8 0.8 0.9 0.8 0.8 0.7
[1] 3krw.a 0.8
0
0.6 0.6 1.0 0.9 1.0 0.8 0.8 0.8 0.8 1.0 1.0 1.1 0.6
[1] 3pvu.a 0.8 0.6
0
0.5 0.9 0.7 0.8 0.7 0.7 0.6 0.7 0.8 0.9 1.0 0.5
[1] 3pvw.a 0.8 0.6 0.5
0
0.9 0.8 0.8 0.7 0.8 0.7 0.8 0.9 1.0 1.0 0.5
[1] 3v5w.a 0.7 1.0 0.9 0.9
0
0.6 0.8 0.6 0.6 0.6 0.5 0.7 0.3 0.5 0.7
[1] 4mk0.a 0.7 0.9 0.7 0.8 0.6
0
0.6 0.5 0.5 0.5 0.5 0.8 0.6 0.7 0.6
[1] 4pnk.a 0.8 1.0 0.8 0.8 0.8 0.6
0
0.7 0.8 0.6 0.7 0.9 0.8 0.8 0.7
[1] 5he0.a 0.8 0.8 0.7 0.7 0.6 0.5 0.7
0
0.5 0.3 0.3 0.7 0.7 0.7 0.5
[1] 5he1.a 0.8 0.8 0.7 0.8 0.6 0.5 0.8 0.5
0
0.4 0.5 0.5 0.6 0.8 0.6
[1] 5he2.a 0.8 0.8 0.6 0.7 0.6 0.5 0.6 0.3 0.4
0
0.4 0.7 0.7 0.7 0.5
[1] 5he3.a 0.8 0.8 0.7 0.8 0.5 0.5 0.7 0.3 0.5 0.4
0
0.6 0.6 0.7 0.6
[1] 5ukk.a 0.9 1.0 0.8 0.9 0.7 0.8 0.9 0.7 0.5 0.7 0.6
0
0.7 0.9 0.8
[1] 5ukl.a 0.8 1.0 0.9 1.0 0.3 0.6 0.8 0.7 0.6 0.7 0.6 0.7
0
0.6 0.8
[1] 5ukm.a 0.8 1.1 1.0 1.0 0.5 0.7 0.8 0.7 0.8 0.7 0.7 0.9 0.6
0
0.8
[1] 5uvc.a 0.7 0.6 0.5 0.5 0.7 0.6 0.7 0.5 0.6 0.5 0.6 0.8 0.8 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.7 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
1omw.a
3krw.a
3pvu.a
3pvw.a
3v5w.a
4mk0.a
4pnk.a
5he0.a
5he1.a
5he2.a
5he3.a
5ukk.a
5ukl.a
5ukm.a
5uvc.a
[1] 1omw.a
0
1.1 1.1 1.0 1.1 0.9 1.0 1.2 1.3 1.2 1.1 1.2 1.0 1.2 1.0
[1] 3krw.a 1.1
0
1.1 0.9 1.3 1.1 1.1 1.2 1.2 1.1 1.1 1.3 1.4 1.4 0.9
[1] 3pvu.a 1.1 1.1
0
0.5 1.4 1.2 1.2 1.0 1.2 1.0 1.1 1.2 1.4 1.4 1.0
[1] 3pvw.a 1.0 0.9 0.5
0
1.3 1.1 1.1 1.0 1.2 1.1 1.0 1.2 1.3 1.3 0.9
[1] 3v5w.a 1.1 1.3 1.4 1.3
0
0.8 0.9 1.1 1.1 1.1 1.0 1.0 0.7 0.9 1.1
[1] 4mk0.a 0.9 1.1 1.2 1.1 0.8
0
0.6 1.0 1.0 1.0 0.9 1.0 0.8 0.9 1.0
[1] 4pnk.a 1.0 1.1 1.2 1.1 0.9 0.6
0
1.0 1.0 1.1 1.0 1.1 0.9 1.1 1.0
[1] 5he0.a 1.2 1.2 1.0 1.0 1.1 1.0 1.0
0
0.8 0.4 0.8 1.0 1.2 1.1 0.9
[1] 5he1.a 1.3 1.2 1.2 1.2 1.1 1.0 1.0 0.8
0
0.8 1.1 0.9 1.2 1.1 1.0
[1] 5he2.a 1.2 1.1 1.0 1.1 1.1 1.0 1.1 0.4 0.8
0
0.9 1.1 1.2 1.2 1.0
[1] 5he3.a 1.1 1.1 1.1 1.0 1.0 0.9 1.0 0.8 1.1 0.9
0
0.9 1.0 1.1 1.0
[1] 5ukk.a 1.2 1.3 1.2 1.2 1.0 1.0 1.1 1.0 0.9 1.1 0.9
0
1.1 1.1 1.0
[1] 5ukl.a 1.0 1.4 1.4 1.3 0.7 0.8 0.9 1.2 1.2 1.2 1.0 1.1
0
0.9 1.1
[1] 5ukm.a 1.2 1.4 1.4 1.3 0.9 0.9 1.1 1.1 1.1 1.2 1.1 1.1 0.9
0
1.1
[1] 5uvc.a 1.0 0.9 1.0 0.9 1.1 1.0 1.0 0.9 1.0 1.0 1.0 1.0 1.1 1.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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