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TTBK1_HUMAN_6_314

Tau-tubulin kinase 1 [Protein kinase superfamily. CK1 Ser/Thr protein kinase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (TTBK1_HUMAN):D: Protein kinase (40:42, 44:46, 48, 61:63, 77, 91, 105, 107:111, 113, 158, 159, 175:177)40:42, 44:46, 48, 61:63, 77, 91, 105, 107:111, 113, 158, 159, 175:177

Full PDB list

4btj, 4btk, 4btm, 4nfm, 4nfn

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
4
0
G
4
1
G
4
2
G
4
4
F
4
5
I
4
8
A
6
1
L
6
2
K
6
3
E
7
7
C
9
1
V
1
0
5
M
1
0
7
Q
1
0
8
L
1
0
9
Q
1
1
0
G
1
1
1
N
1
1
3
S
1
5
8
N
1
5
9
L
1
7
5
D
1
7
6
F
1
7
7
[1]4btj.a adp27 . . . . . . . . . . . . . . . . . . . . . . .
[1]4btj.b atp31 . . . . . . . . . . . . . . . . . . . . . . .
[1]4btk.a dtq22 . . . - - . . . . . . . . . . . . . . . . . .
[1]4btm.b f8e21 . . . . . . . . . . . . . . . . . . . . . . .
[1]4nfm.a none . . . . . . . . . . . . . . . . . . . . . . .
[1]4nfn.a 2kc27 . . . . . . . . . . . . . . . . . . . . . . .

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
0
G
4
1
G
4
2
G
4
4
F
4
5
G
4
6
I
4
8
A
6
1
L
6
2
K
6
3
E
7
7
C
9
1
V
1
0
5
M
1
0
7
Q
1
0
8
L
1
0
9
Q
1
1
0
G
1
1
1
N
1
1
3
S
1
5
8
N
1
5
9
L
1
7
5
D
1
7
6
F
1
7
7
[1]4btj.a . . . . . . . . . . . . . . . . . . . . . . . .
[1]4btj.b . . . . . . . . . . . . . . . . . . . . . . . .
[1]4btk.a . . . - - . . . . . . . . * . . . . . . . . * .
[1]4btm.b . . . . * . . . . . . . . * . . . . . . . * . .
[1]4nfm.a . . . . . . * . . . . . . * . . . . . . . . * .
[1]4nfn.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
4btj.a:adp
4btj.b:atp
4btk.a:dtq
4btm.b:f8e
4nfm.a is apo
4nfn.a:2kc
[1] 4btj.a
0.1
0.7 0.9 0.3 - 1.2
[1] 4btj.b 0.1
0
0.9 0.2 - 1.7
[1] 4btk.a 1.1 0.6
0.1
0.2 - 1.5
[1] 4btm.b 1.8 1.3 1.5
0.1
- 1.6
[1] 4nfm.a 1.0 0.8 0.1 0.2
-
0.7
[1] 4nfn.a 0.9 0.9 0.6 0.8 -
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
4btj.a
4btj.b
4btk.a
4btm.b
4nfm.a
4nfn.a
[1] 4btj.a
0
.05 .11 .16 .13 .10
[1] 4btj.b .05
0
.08 .19 .10 .08
[1] 4btk.a .11 .08
0
.14 .03 .03
[1] 4btm.b .16 .19 .14
0
.16 .15
[1] 4nfm.a .13 .10 .03 .16
0
.03
[1] 4nfn.a .10 .08 .03 .15 .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
4btj.a
4btj.b
4btk.a
4btm.b
4nfm.a
4nfn.a
[1] 4btj.a
0
1.0 1.1 1.1 1.3 1.4
[1] 4btj.b 1.0
0
0.8 1.0 0.8 0.8
[1] 4btk.a 1.1 0.8
0
1.0 0.6 0.7
[1] 4btm.b 1.1 1.0 1.0
0
1.1 1.2
[1] 4nfm.a 1.3 0.8 0.6 1.1
0
0.6
[1] 4nfn.a 1.4 0.8 0.7 1.2 0.6
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

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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
4btj.a
4btj.b
4btk.a
4btm.b
4nfm.a
4nfn.a
[1] 4btj.a
0
0.9 1.2 1.5 1.4 1.4
[1] 4btj.b 0.9
0
0.9 1.2 1.1 1.0
[1] 4btk.a 1.2 0.9
0
1.0 0.7 0.9
[1] 4btm.b 1.5 1.2 1.0
0
1.5 1.2
[1] 4nfm.a 1.4 1.1 0.7 1.5
0
0.7
[1] 4nfn.a 1.4 1.0 0.9 1.2 0.7
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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