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TNI3K_HUMAN_410_730

Serine/threonine-protein kinase TNNI3K [Protein kinase superfamily. TKL Ser/Thr protein kinase family. MAP kinase kinase kinase subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (TNI3K_HUMAN):D: Protein kinase (469:471, 477, 488:490, 522, 537, 539:542, 545, 592, 595, 606)469:471, 477, 488:490, 522, 537, 539:542, 545, 592, 595, 606

Full PDB list

4yff, 4yfi

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
4
6
9
G
4
7
0
V
4
7
7
A
4
8
8
I
4
8
9
K
4
9
0
I
5
3
7
T
5
3
9
Q
5
4
0
Y
5
4
1
I
5
4
2
G
5
4
5
H
5
9
2
L
5
9
5
D
6
0
6
[1]4yff.a 4cv28 . . . . . . . . . . . . . . .
[1]4yfi.a 4cw21 . . . . . . . . . . . . . . .

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
4
6
9
G
4
7
0
S
4
7
1
V
4
7
7
A
4
8
8
I
4
8
9
K
4
9
0
I
5
2
2
I
5
3
7
T
5
3
9
Q
5
4
0
Y
5
4
1
I
5
4
2
G
5
4
5
H
5
9
2
L
5
9
5
D
6
0
6
[1]4yff.a . . . . . . . . . . . . . . . . .
[1]4yfi.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
4yff.a:4cv
4yfi.a:4cw
[1] 4yff.a
0
0
[1] 4yfi.a 0.1
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
4yff.a
4yfi.a
[1] 4yff.a
0
.01
[1] 4yfi.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
4yff.a
4yfi.a
[1] 4yff.a
0
0.5
[1] 4yfi.a 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
4yff.a
4yfi.a
[1] 4yff.a
0
0.6
[1] 4yfi.a 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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