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M3K14_HUMAN_321_678

Mitogen-activated protein kinase kinase kinase 14 [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 (M3K14_HUMAN):D: Protein kinase (406:414, 427, 429, 440, 444, 453, 467, 469:472, 475, 476, 479, 515, 519, 520, 522, 533:537)
R: Interaction with ZFP91 (406:414, 427, 429, 440, 444, 453, 467, 469:472, 475, 476, 479, 515, 519, 520, 522, 533:537)
406:414, 427, 429, 440, 444, 453, 467, 469:472, 475, 476, 479, 515, 519, 520, 522, 533:537

Full PDB list

4dn5, 4g3d, 4idt, 4idv

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
4
0
6
G
4
0
7
R
4
0
8
G
4
0
9
S
4
1
0
F
4
1
1
G
4
1
2
V
4
1
4
A
4
2
7
K
4
2
9
E
4
4
0
C
4
4
4
V
4
5
3
I
4
6
7
M
4
6
9
E
4
7
0
L
4
7
1
L
4
7
2
G
4
7
5
S
4
7
6
Q
4
7
9
D
5
1
5
D
5
1
9
N
5
2
0
L
5
2
2
C
5
3
3
D
5
3
4
F
5
3
5
H
5
3
7
[1]4dn5.a ags,mg32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4g3d.a mg1 - . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4g3d.b none - . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4idt.a t2820 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4idv.b 13v27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
4
0
6
G
4
0
7
R
4
0
8
G
4
0
9
S
4
1
0
F
4
1
1
G
4
1
2
E
4
1
3
V
4
1
4
A
4
2
7
K
4
2
9
E
4
4
0
C
4
4
4
V
4
5
3
I
4
6
7
M
4
6
9
E
4
7
0
L
4
7
1
L
4
7
2
G
4
7
5
S
4
7
6
Q
4
7
9
D
5
1
5
D
5
1
9
N
5
2
0
L
5
2
2
C
5
3
3
D
5
3
4
F
5
3
5
G
5
3
6
H
5
3
7
[1]4dn5.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4g3d.a - . * . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4g3d.b - . * . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4idt.a . . . * * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4idv.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
4dn5.a:ags,mg
4g3d.a:mg
4g3d.b is apo
4idt.a:t28
4idv.b:13v
[1] 4dn5.a
0.4
0 - 0.1 0.6
[1] 4g3d.a 2.2
0
- 0.1 0.4
[1] 4g3d.b 2.0 0
-
0.1 0.7
[1] 4idt.a 5.6 0 -
0
0.6
[1] 4idv.b 1.6 0.1 - 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
4dn5.a
4g3d.a
4g3d.b
4idt.a
4idv.b
[1] 4dn5.a
0
.07 .06 .19 .06
[1] 4g3d.a .07
0
.03 .17 .05
[1] 4g3d.b .06 .03
0
.19 .06
[1] 4idt.a .19 .17 .19
0
.18
[1] 4idv.b .06 .05 .06 .18
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.3 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
4dn5.a
4g3d.a
4g3d.b
4idt.a
4idv.b
[1] 4dn5.a
0
2.1 2.0 1.1 2.2
[1] 4g3d.a 2.1
0
0.2 2.5 0.4
[1] 4g3d.b 2.0 0.2
0
2.5 0.5
[1] 4idt.a 1.1 2.5 2.5
0
2.6
[1] 4idv.b 2.2 0.4 0.5 2.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.1 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
4dn5.a
4g3d.a
4g3d.b
4idt.a
4idv.b
[1] 4dn5.a
0
3.0 2.9 1.3 3.1
[1] 4g3d.a 3.0
0
0.5 3.3 0.9
[1] 4g3d.b 2.9 0.5
0
3.3 0.9
[1] 4idt.a 1.3 3.3 3.3
0
3.5
[1] 4idv.b 3.1 0.9 0.9 3.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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