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MK09_HUMAN_4_363

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

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (MK09_HUMAN):D: Protein kinase (32, 37, 40, 53, 55, 69, 70, 73, 76, 77, 86, 106, 108:114, 117, 142, 147, 149, 158, 168:171, 183)32, 37, 40, 53, 55, 69, 70, 73, 76, 77, 86, 106, 108:114, 117, 142, 147, 149, 158, 168:171, 183

Full PDB list

3e7o, 3npc

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
3
2
Q
3
7
V
4
0
A
5
3
K
5
5
R
6
9
E
7
3
L
7
6
L
7
7
I
8
6
L
1
0
6
M
1
0
8
E
1
0
9
L
1
1
0
M
1
1
1
D
1
1
2
A
1
1
3
N
1
1
4
L
1
4
2
H
1
4
9
V
1
5
8
L
1
6
8
D
1
6
9
F
1
7
0
[1]3e7o.a 35f28 . . . . . . . . . . . . . . . . . . . . . . . .
[1]3npc.a b9639 . . . . . . . . . . . . . . . . . . . . . . . .

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
I
3
2
Q
3
7
V
4
0
A
5
3
K
5
5
R
6
9
A
7
0
E
7
3
L
7
6
L
7
7
I
8
6
L
1
0
6
M
1
0
8
E
1
0
9
L
1
1
0
M
1
1
1
D
1
1
2
A
1
1
3
N
1
1
4
Q
1
1
7
L
1
4
2
I
1
4
7
H
1
4
9
V
1
5
8
L
1
6
8
D
1
6
9
F
1
7
0
G
1
7
1
T
1
8
3
[1]3e7o.a . . . . . . . . . . . . * . . . . . . . . . . . . * * . .
[1]3npc.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
3e7o.a:35f
3npc.a:b96
[1] 3e7o.a
0
8.2
[1] 3npc.a 3.2
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
3e7o.a
3npc.a
[1] 3e7o.a
0
.19
[1] 3npc.a .19
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.9 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
3e7o.a
3npc.a
[1] 3e7o.a
0
5.7
[1] 3npc.a 5.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.8 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
3e7o.a
3npc.a
[1] 3e7o.a
0
5.9
[1] 3npc.a 5.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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