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TBK1_HUMAN_1_303

Serine/threonine-protein kinase TBK1 [Protein kinase superfamily. Ser/Thr protein kinase family. I-kappa-B kinase subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (TBK1_HUMAN):D: Protein kinase (15:18, 21, 23, 25, 36, 38, 68, 86:93, 95, 96, 139, 140, 142, 156, 157)15:18, 21, 23, 25, 36, 38, 68, 86:93, 95, 96, 139, 140, 142, 156, 157

Full PDB list

4eut, 4euu, 4im0, 4im2, 4im3, 4iwo, 4iwp, 4iwq, 4jl9, 4jlc (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
1
5
G
1
6
Q
1
7
G
1
8
A
2
1
V
2
3
R
2
5
A
3
6
K
3
8
V
6
8
M
8
6
E
8
7
F
8
8
C
8
9
P
9
0
C
9
1
G
9
2
T
9
6
G
1
3
9
M
1
4
2
T
1
5
6
D
1
5
7
[1]4eut.b bx734 . . . . . . . . . . . . . . . . . . . . . .
[1]4iwo.a 1h433 . . . . . . . . . . . . . . . . . . . . . .
[1]4iwq.a 1fv34 . . . . . . . . . . . . . . . . . . . . . .
[1]4jlc.a su623 . . . . . . . . . . . . . . . . . . . . . .

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
L
1
5
G
1
6
Q
1
7
G
1
8
A
2
1
V
2
3
R
2
5
A
3
6
K
3
8
V
6
8
M
8
6
E
8
7
F
8
8
C
8
9
P
9
0
C
9
1
G
9
2
S
9
3
Y
9
5
T
9
6
G
1
3
9
N
1
4
0
M
1
4
2
T
1
5
6
D
1
5
7
[1]4eut.b . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4iwo.a . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4iwq.a . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4jlc.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
4eut.b:bx7
4iwo.a:1h4
4iwq.a:1fv
4jlc.a:su6
[1] 4eut.b
0.1
0.4 0.3 0.4
[1] 4iwo.a 0.8
0
0.1 0.2
[1] 4iwq.a 0.9 0
0
0.3
[1] 4jlc.a 0.4 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
4eut.b
4iwo.a
4iwq.a
4jlc.a
[1] 4eut.b
0
.05 .05 .04
[1] 4iwo.a .05
0
.01 .03
[1] 4iwq.a .05 .01
0
.03
[1] 4jlc.a .04 .03 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
4eut.b
4iwo.a
4iwq.a
4jlc.a
[1] 4eut.b
0
0.7 0.8 0.9
[1] 4iwo.a 0.7
0
0.5 0.7
[1] 4iwq.a 0.8 0.5
0
0.8
[1] 4jlc.a 0.9 0.7 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.7 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
4eut.b
4iwo.a
4iwq.a
4jlc.a
[1] 4eut.b
0
1.0 1.0 1.0
[1] 4iwo.a 1.0
0
0.7 1.0
[1] 4iwq.a 1.0 0.7
0
1.1
[1] 4jlc.a 1.0 1.0 1.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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