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M3K9_HUMAN_135_406

Mitogen-activated protein kinase kinase kinase 9 [Protein kinase superfamily. STE Ser/Thr protein kinase family. MAP kinase kinase kinase subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (M3K9_HUMAN):D: Protein kinase (150, 151, 155, 158, 169, 171, 220:224, 226, 227, 230, 272, 275, 293, 294)150, 151, 155, 158, 169, 171, 220:224, 226, 227, 230, 272, 275, 293, 294

Full PDB list

3dtc, 4uy9

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
1
5
0
G
1
5
1
F
1
5
5
V
1
5
8
A
1
6
9
K
1
7
1
M
2
2
0
E
2
2
1
F
2
2
2
A
2
2
3
R
2
2
4
G
2
2
6
P
2
2
7
R
2
3
0
S
2
7
2
L
2
7
5
T
2
9
3
D
2
9
4
[1]3dtc.a vin32 . . . . . . . . . . . . . . . . . .
[1]4uy9.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
I
1
5
0
G
1
5
1
F
1
5
5
V
1
5
8
A
1
6
9
K
1
7
1
M
2
2
0
E
2
2
1
F
2
2
2
A
2
2
3
R
2
2
4
G
2
2
6
P
2
2
7
R
2
3
0
S
2
7
2
L
2
7
5
T
2
9
3
D
2
9
4
[1]3dtc.a . . . . . . . . . . . . . . . . . .
[1]4uy9.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
3dtc.a:vin
4uy9.a is apo
[1] 3dtc.a
0
-
[1] 4uy9.a 1.1
-
[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
3dtc.a
4uy9.a
[1] 3dtc.a
0
.06
[1] 4uy9.a .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.6 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
3dtc.a
4uy9.a
[1] 3dtc.a
0
1.7
[1] 4uy9.a 1.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.9 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
3dtc.a
4uy9.a
[1] 3dtc.a
0
3.1
[1] 4uy9.a 3.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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