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AKT2_HUMAN_145_478_pep

RAC-beta serine/threonine-protein kinase [Protein kinase superfamily. AGC Ser/Thr protein kinase family. RAC subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AKT2_HUMAN):D: Protein kinase (157:167, 179, 181, 183, 193, 196, 200, 204, 213, 227, 229:232, 236, 238, 242, 245, 275, 277:280, 282, 292:297, 309:317, 342, 348, 351)
R: Inhibitor binding (230:232)
R: Inhibitor binding (277:279)
R: Inhibitor binding (292, 293)
157:167, 179, 181, 183, 193, 196, 200, 204, 213, 227, 229:232, 236, 238, 242, 245, 275, 277:280, 282, 292:297, 309:317, 342, 348, 351, 439, 440, 443

Full PDB list

1gzk, 1gzn, 1gzo, 1mrv, 1mry, 1o6k, 1o6l, 2jdo, 2jdr, 2uw9, 2x39, 2xh5, 3d0e, 3e87, 3e88, 3e8d (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
1
5
8
G
1
5
9
K
1
6
0
G
1
6
1
T
1
6
2
F
1
6
3
G
1
6
4
K
1
6
5
V
1
6
6
A
1
7
9
K
1
8
1
L
1
8
3
E
1
9
3
H
1
9
6
E
2
0
0
L
2
0
4
T
2
1
3
F
2
2
7
M
2
2
9
E
2
3
0
Y
2
3
1
A
2
3
2
E
2
3
6
F
2
3
8
D
2
7
5
K
2
7
7
L
2
7
8
E
2
7
9
N
2
8
0
M
2
8
2
T
2
9
2
D
2
9
3
F
2
9
4
L
2
9
6
T
3
0
9
F
3
1
0
C
3
1
1
G
3
1
2
T
3
1
3
P
3
1
4
E
3
1
5
Y
3
1
6
L
3
1
7
E
3
4
2
L
3
4
8
Y
3
5
1
F
4
3
9
D
4
4
0
F
4
4
3
[1]1o6l.a anp,GRPRTTSFAE,mn,mn112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]2jdo.a GRPRTTSFAE,i5s107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]2jdr.a GRPRTTSFAE,l20109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]2uw9.a GRPRTTSFAE,gvp103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]2x39.a GRPRTTSFAE,x39106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]2xh5.a GRPRTTSFAE,x37106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3d0e.a g9331 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3e87.a g95,GRPRTTSFAE105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3e88.a g96,GRPRTTSFAE113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3e8d.a g98,GRPRTTSFAE113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[2]1mry.a none . . . . . . . . . . . . - - - . . . . . . . . . . . . . . . . . . . - - . . . . . . . . . . . . -

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
5
7
L
1
5
8
G
1
5
9
K
1
6
0
G
1
6
1
T
1
6
2
F
1
6
3
G
1
6
4
K
1
6
5
V
1
6
6
I
1
6
7
A
1
7
9
K
1
8
1
L
1
8
3
E
1
9
3
H
1
9
6
E
2
0
0
L
2
0
4
T
2
1
3
F
2
2
7
M
2
2
9
E
2
3
0
Y
2
3
1
A
2
3
2
E
2
3
6
F
2
3
8
S
2
4
2
R
2
4
5
D
2
7
5
K
2
7
7
L
2
7
8
E
2
7
9
N
2
8
0
M
2
8
2
T
2
9
2
D
2
9
3
F
2
9
4
G
2
9
5
L
2
9
6
C
2
9
7
T
3
0
9
F
3
1
0
C
3
1
1
G
3
1
2
T
3
1
3
P
3
1
4
E
3
1
5
Y
3
1
6
L
3
1
7
E
3
4
2
L
3
4
8
Y
3
5
1
F
4
3
9
D
4
4
0
F
4
4
3
[1]1o6l.a . . . . . . . * . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]2jdo.a . . . . * . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]2jdr.a . . . . . . * * . . . . . . . . . . . . * . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . .
[1]2uw9.a . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . * . . . . . . . . . . . . . .
[1]2x39.a . . . . * . . . . . . . . . . . * . . . * . . . * . . . . . . . . . . * . . . . * . . . . . . . . . . . . . .
[1]2xh5.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . * . . . . * . . . . . . . . . . . . . .
[1]3d0e.a . . . . . . * . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3e87.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . * . . . . . . . . . . . . . .
[1]3e88.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3e8d.a . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[2]1mry.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
1o6l.a:GRPRTTSFAE,anp,mn
2jdo.a:GRPRTTSFAE,i5s
2jdr.a:GRPRTTSFAE,l20
2uw9.a:GRPRTTSFAE,gvp
2x39.a:GRPRTTSFAE,x39
2xh5.a:GRPRTTSFAE,x37
3d0e.a:g93
3e87.a:GRPRTTSFAE,g95
3e88.a:GRPRTTSFAE,g96
3e8d.a:GRPRTTSFAE,g98
1mry.a is apo
[1] 1o6l.a
0.4
1.1 1.2 2.0 1.0 3.2 0.3 1.9 1.8 1.9 -
[1] 2jdo.a 1.3
0
1.8 0.5 0.2 1.7 0.6 1.2 0.9 1.8 -
[1] 2jdr.a 2.7 5.9
0.1
4.4 5.1 6.6 1.2 5.4 7.8 5.1 -
[1] 2uw9.a 1.9 0.7 2.0
0
0.5 1.1 1.8 1.8 1.9 2.8 -
[1] 2x39.a 1.6 0.2 2.3 0.7
0.1
1.7 2.0 1.8 2.3 3.0 -
[1] 2xh5.a 1.6 0.6 2.5 0.7 0.3
0
1.7 0.9 1.4 1.9 -
[1] 3d0e.a 2.4 4.0 2.2 2.7 3.0 5.4
0
4.0 4.9 3.3 -
[1] 3e87.a 1.9 1.2 1.5 0.9 1.5 1.4 1.2
0
0.9 0.9 -
[1] 3e88.a 0.8 1.1 1.6 0.6 0.9 0.9 0 0.5
0.1
0.3 -
[1] 3e8d.a 1.7 1.3 1.9 0.9 1.2 1.2 0.4 0.5 0.2
0.1
-
[2] 1mry.a 16 21 17 16 17 20 14 18 20 23
-
[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
1o6l.a
2jdo.a
2jdr.a
2uw9.a
2x39.a
2xh5.a
3d0e.a
3e87.a
3e88.a
3e8d.a
1mry.a
[1] 1o6l.a
0
.09 .18 .12 .10 .11 .15 .09 .08 .09 .59
[1] 2jdo.a .09
0
.20 .06 .06 .07 .17 .09 .07 .08 .61
[1] 2jdr.a .18 .20
0
.22 .21 .22 .11 .18 .19 .18 .69
[1] 2uw9.a .12 .06 .22
0
.06 .07 .20 .11 .09 .10 .64
[1] 2x39.a .10 .06 .21 .06
0
.08 .18 .10 .10 .10 .62
[1] 2xh5.a .11 .07 .22 .07 .08
0
.16 .08 .07 .07 .61
[1] 3d0e.a .15 .17 .11 .20 .18 .16
0
.14 .14 .13 .66
[1] 3e87.a .09 .09 .18 .11 .10 .08 .14
0
.06 .04 .60
[1] 3e88.a .08 .07 .19 .09 .10 .07 .14 .06
0
.04 .59
[1] 3e8d.a .09 .08 .18 .10 .10 .07 .13 .04 .04
0
.59
[2] 1mry.a .59 .61 .69 .64 .62 .61 .66 .60 .59 .59
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.1 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
1o6l.a
2jdo.a
2jdr.a
2uw9.a
2x39.a
2xh5.a
3d0e.a
3e87.a
3e88.a
3e8d.a
1mry.a
[1] 1o6l.a
0
1.0 0.8 0.9 0.8 1.5 0.5 0.8 0.7 0.8 5.8
[1] 2jdo.a 1.0
0
0.9 0.5 0.4 0.8 1.0 0.8 0.9 0.9 6.0
[1] 2jdr.a 0.8 0.9
0
0.8 0.8 1.3 0.7 0.9 0.9 0.9 6.0
[1] 2uw9.a 0.9 0.5 0.8
0
0.5 1.0 0.8 0.7 0.7 0.8 6.0
[1] 2x39.a 0.8 0.4 0.8 0.5
0
0.9 0.7 0.7 0.7 0.8 5.9
[1] 2xh5.a 1.5 0.8 1.3 1.0 0.9
0
1.3 0.9 1.1 1.1 6.2
[1] 3d0e.a 0.5 1.0 0.7 0.8 0.7 1.3
0
0.6 0.4 0.5 5.9
[1] 3e87.a 0.8 0.8 0.9 0.7 0.7 0.9 0.6
0
0.4 0.3 6.0
[1] 3e88.a 0.7 0.9 0.9 0.7 0.7 1.1 0.4 0.4
0
0.3 6.0
[1] 3e8d.a 0.8 0.9 0.9 0.8 0.8 1.1 0.5 0.3 0.3
0
6.0
[2] 1mry.a 5.8 6.0 6.0 6.0 5.9 6.2 5.9 6.0 6.0 6.0
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.8 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
1o6l.a
2jdo.a
2jdr.a
2uw9.a
2x39.a
2xh5.a
3d0e.a
3e87.a
3e88.a
3e8d.a
1mry.a
[1] 1o6l.a
0
1.2 1.5 1.1 1.0 1.6 1.2 1.1 0.8 1.0 5.6
[1] 2jdo.a 1.2
0
1.6 0.6 0.5 0.9 1.5 1.0 1.1 1.1 5.8
[1] 2jdr.a 1.5 1.6
0
1.5 1.6 1.8 1.1 1.5 1.4 1.1 5.7
[1] 2uw9.a 1.1 0.6 1.5
0
0.6 1.0 1.4 0.9 0.9 1.0 5.8
[1] 2x39.a 1.0 0.5 1.6 0.6
0
1.0 1.4 0.9 0.9 1.0 5.7
[1] 2xh5.a 1.6 0.9 1.8 1.0 1.0
0
1.6 1.1 1.3 1.2 5.9
[1] 3d0e.a 1.2 1.5 1.1 1.4 1.4 1.6
0
1.1 1.1 0.7 5.7
[1] 3e87.a 1.1 1.0 1.5 0.9 0.9 1.1 1.1
0
0.7 0.5 5.8
[1] 3e88.a 0.8 1.1 1.4 0.9 0.9 1.3 1.1 0.7
0
0.6 5.7
[1] 3e8d.a 1.0 1.1 1.1 1.0 1.0 1.2 0.7 0.5 0.6
0
5.8
[2] 1mry.a 5.6 5.8 5.7 5.8 5.7 5.9 5.7 5.8 5.7 5.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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