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AKT2_HUMAN_145_478

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 (158:166, 179, 181, 183, 200, 204, 213, 227, 229:232, 236, 275, 277, 279, 280, 282, 292:296)
R: Inhibitor binding (230:232)
R: Inhibitor binding (277, 279)
R: Inhibitor binding (292, 293)
158:166, 179, 181, 183, 200, 204, 213, 227, 229:232, 236, 275, 277, 279, 280, 282, 292:296, 439, 443
Cofactors (cF):GRPRTTSFAE

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 cF
L
1
5
8
G
1
5
9
K
1
6
0
G
1
6
1
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
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
K
2
7
7
E
2
7
9
N
2
8
0
M
2
8
2
T
2
9
2
D
2
9
3
F
2
9
4
F
4
3
9
F
4
4
3
[1]1o6k.a anp,mn,mn33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]2jdo.a i5s28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]2jdr.a l2030 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]2uw9.a gvp24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]2x39.a x3927 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]2xh5.a x3727 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]3d0e.a g9331 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3e87.a g9526 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]3e88.a g9634 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]3e8d.a g9834 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[2]1gzk.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 cF
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
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
D
2
7
5
K
2
7
7
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
F
4
3
9
F
4
4
3
[1]1o6k.a . . . . . . * . . . . . . . . . . . . . * . . . . . . . . . . . . GRPRTTSFAE
[1]2jdo.a . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . GRPRTTSFAE
[1]2jdr.a . . . . . * * . . . . . . . . . . . . . . . . . . * . . . . . . . GRPRTTSFAE
[1]2uw9.a . . . * . . . . . . . . . . . . . . . . . . . . . . . * . . . . . GRPRTTSFAE
[1]2x39.a . . . * . . . . . . . . . . . . . . . . * . . . . . . * . . . . . GRPRTTSFAE
[1]2xh5.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . GRPRTTSFAE
[1]3d0e.a . . . . . * . . . . . . . . . . . . . . * . . . . . . . . . . . .
[1]3e87.a . . . . . . . . . . . . . . . . * . . . * . . . . . . . . . . . . GRPRTTSFAE
[1]3e88.a . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . GRPRTTSFAE
[1]3e8d.a . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . GRPRTTSFAE
[2]1gzk.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
1o6k.a:anp,mn
2jdo.a:i5s
2jdr.a:l20
2uw9.a:gvp
2x39.a:x39
2xh5.a:x37
3d0e.a:g93
3e87.a:g95
3e88.a:g96
3e8d.a:g98
1gzk.a is apo
[1] 1o6k.a
0.4
1.0 1.3 1.2 0.7 1.5 0.6 1.8 1.5 1.4 -
[1] 2jdo.a 0.8
0
1.2 0.4 0.2 1.0 0.5 0.8 1.3 1.4 -
[1] 2jdr.a 3.1 6.2
0
4.1 4.2 6.0 1.2 5.1 6.9 4.7 -
[1] 2uw9.a 1.1 0.9 1.4
0
0.4 1.6 1.1 1.3 1.4 2.2 -
[1] 2x39.a 1.5 0.1 2.3 0.6
0
1.2 1.8 1.5 2.0 2.4 -
[1] 2xh5.a 0.7 0.1 1.7 0.3 0.2
0
1.1 0.3 0.9 1.0 -
[1] 3d0e.a 1.4 2.8 1.4 2.7 2.9 4.2
0
3.8 4.5 2.3 -
[1] 3e87.a 0.8 0.3 1.4 0.3 0.4 0 1.2
0
0.9 1.0 -
[1] 3e88.a 1.0 0.2 1.4 0.4 0.5 0.7 0.1 0.2
0
0.1 -
[1] 3e8d.a 1.1 1.1 1.7 0.5 0.4 0.3 0.4 0.2 0.2
0
-
[2] 1gzk.a 9.1 11 12 8.3 8.2 9.6 15 9.8 12 13
-
[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
1o6k.a
2jdo.a
2jdr.a
2uw9.a
2x39.a
2xh5.a
3d0e.a
3e87.a
3e88.a
3e8d.a
1gzk.a
[1] 1o6k.a
0
.06 .25 .11 .10 .11 .19 .11 .08 .11 .66
[1] 2jdo.a .06
0
.26 .07 .07 .09 .18 .12 .08 .10 .64
[1] 2jdr.a .25 .26
0
.28 .30 .27 .14 .29 .28 .28 .76
[1] 2uw9.a .11 .07 .28
0
.06 .09 .21 .13 .09 .11 .63
[1] 2x39.a .10 .07 .30 .06
0
.10 .21 .13 .11 .12 .68
[1] 2xh5.a .11 .09 .27 .09 .10
0
.17 .07 .08 .08 .64
[1] 3d0e.a .19 .18 .14 .21 .21 .17
0
.18 .16 .16 .70
[1] 3e87.a .11 .12 .29 .13 .13 .07 .18
0
.07 .07 .64
[1] 3e88.a .08 .08 .28 .09 .11 .08 .16 .07
0
.06 .65
[1] 3e8d.a .11 .10 .28 .11 .12 .08 .16 .07 .06
0
.66
[2] 1gzk.a .66 .64 .76 .63 .68 .64 .70 .64 .65 .66
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
1o6k.a
2jdo.a
2jdr.a
2uw9.a
2x39.a
2xh5.a
3d0e.a
3e87.a
3e88.a
3e8d.a
1gzk.a
[1] 1o6k.a
0
0.7 0.8 0.7 0.7 1.3 0.7 0.8 0.8 0.8 4.4
[1] 2jdo.a 0.7
0
0.9 0.5 0.5 0.9 0.7 0.7 0.7 0.7 4.5
[1] 2jdr.a 0.8 0.9
0
0.9 0.9 1.3 0.8 1.0 1.0 0.9 4.6
[1] 2uw9.a 0.7 0.5 0.9
0
0.5 1.0 0.7 0.7 0.6 0.7 4.6
[1] 2x39.a 0.7 0.5 0.9 0.5
0
0.8 0.5 0.5 0.5 0.6 4.5
[1] 2xh5.a 1.3 0.9 1.3 1.0 0.8
0
0.9 0.6 0.8 0.7 4.7
[1] 3d0e.a 0.7 0.7 0.8 0.7 0.5 0.9
0
0.5 0.5 0.3 4.5
[1] 3e87.a 0.8 0.7 1.0 0.7 0.5 0.6 0.5
0
0.4 0.4 4.5
[1] 3e88.a 0.8 0.7 1.0 0.6 0.5 0.8 0.5 0.4
0
0.4 4.5
[1] 3e8d.a 0.8 0.7 0.9 0.7 0.6 0.7 0.3 0.4 0.4
0
4.6
[2] 1gzk.a 4.4 4.5 4.6 4.6 4.5 4.7 4.5 4.5 4.5 4.6
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
1o6k.a
2jdo.a
2jdr.a
2uw9.a
2x39.a
2xh5.a
3d0e.a
3e87.a
3e88.a
3e8d.a
1gzk.a
[1] 1o6k.a
0
0.9 1.7 0.8 0.9 1.3 1.4 1.1 0.8 1.0 4.2
[1] 2jdo.a 0.9
0
1.9 0.7 0.7 1.0 1.6 1.1 1.0 1.1 4.3
[1] 2jdr.a 1.7 1.9
0
1.8 1.9 1.9 1.2 1.9 1.8 1.3 4.4
[1] 2uw9.a 0.8 0.7 1.8
0
0.7 1.0 1.5 1.1 0.9 1.1 4.4
[1] 2x39.a 0.9 0.7 1.9 0.7
0
0.9 1.5 1.0 0.8 1.0 4.3
[1] 2xh5.a 1.3 1.0 1.9 1.0 0.9
0
1.4 1.1 1.0 1.1 4.4
[1] 3d0e.a 1.4 1.6 1.2 1.5 1.5 1.4
0
1.3 1.3 0.5 4.3
[1] 3e87.a 1.1 1.1 1.9 1.1 1.0 1.1 1.3
0
0.8 0.6 4.3
[1] 3e88.a 0.8 1.0 1.8 0.9 0.8 1.0 1.3 0.8
0
0.7 4.3
[1] 3e8d.a 1.0 1.1 1.3 1.1 1.0 1.1 0.5 0.6 0.7
0
4.4
[2] 1gzk.a 4.2 4.3 4.4 4.4 4.3 4.4 4.3 4.3 4.3 4.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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