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AKT1_HUMAN_1_137

RAC-alpha 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 (AKT1_HUMAN):D: PH (17, 53, 54, 56, 58, 59, 78:80, 82:86)17, 53, 54, 56, 58, 59, 78:80, 82:86, 203, 205, 210, 211, 264, 268, 270:274, 290:292, 296, 326

Full PDB list

1h10, 1unp, 1unq, 1unr, 2uvm, 2uzr, 2uzs, 3o96, 4ejn, 5kcv (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
N
5
3
N
5
4
Q
5
9
Q
7
9
W
8
0
T
8
2
I
8
4
E
8
5
S
2
0
5
L
2
1
0
T
2
1
1
L
2
6
4
K
2
6
8
V
2
7
0
V
2
7
1
Y
2
7
2
R
2
7
3
D
2
7
4
I
2
9
0
D
2
9
2
C
2
9
6
Y
3
2
6
[1]1unq.a none . . . . . . . . - - - - - - - - - - - - - -
[1]2uzr.a none . . . . . . . . - - - - - - - - - - - - - -
[1]3o96.a iqo42 . . . . . . . . . . . . . . . . . . . . . .
[1]4ejn.a 0r443 . . . . . . . . . . . . . . . . . . . . . .
[1]5kcv.a 6s133 . . . . . . . . . . . . . . . . . . . . . .

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
E
1
7
N
5
3
N
5
4
S
5
6
A
5
8
Q
5
9
L
7
8
Q
7
9
W
8
0
T
8
2
V
8
3
I
8
4
E
8
5
R
8
6
Q
2
0
3
S
2
0
5
L
2
1
0
T
2
1
1
L
2
6
4
K
2
6
8
V
2
7
0
V
2
7
1
Y
2
7
2
R
2
7
3
D
2
7
4
I
2
9
0
T
2
9
1
D
2
9
2
C
2
9
6
Y
3
2
6
[1]1unq.a . . . . . . . . . . . . . * - - - - - - - - - - - - - - - -
[1]2uzr.a K . . . . . . . . . . . . . - - - - - - - - - - - - - - - -
[1]3o96.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4ejn.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5kcv.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
1unq.a is apo
2uzr.a is apo
3o96.a:iqo
4ejn.a:0r4
5kcv.a:6s1
[1] 1unq.a
-
- 3.4 2.4 1.9
[1] 2uzr.a -
-
0.9 0.5 0.3
[1] 3o96.a - -
0
0.2 0.2
[1] 4ejn.a - - 0.4
0
0.2
[1] 5kcv.a - - 1.5 2.0
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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
1unq.a
2uzr.a
3o96.a
4ejn.a
5kcv.a
[1] 1unq.a
0
.10 .13 .14 .19
[1] 2uzr.a .10
0
.04 .05 .10
[1] 3o96.a .13 .04
0
.03 .08
[1] 4ejn.a .14 .05 .03
0
.07
[1] 5kcv.a .19 .10 .08 .07
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 3.0 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
1unq.a
2uzr.a
3o96.a
4ejn.a
5kcv.a
[1] 1unq.a
0
2.6 2.6 2.8 2.7
[1] 2uzr.a 2.6
0
3.6 3.5 3.4
[1] 3o96.a 2.6 3.6
0
1.5 1.4
[1] 4ejn.a 2.8 3.5 1.5
0
0.6
[1] 5kcv.a 2.7 3.4 1.4 0.6
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
1unq.a
2uzr.a
3o96.a
4ejn.a
5kcv.a
[1] 1unq.a
0
3.0 3.7 3.9 3.7
[1] 2uzr.a 3.0
0
4.5 4.3 4.3
[1] 3o96.a 3.7 4.5
0
1.7 1.6
[1] 4ejn.a 3.9 4.3 1.7
0
0.8
[1] 5kcv.a 3.7 4.3 1.6 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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