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TAOK2_RAT_5_320

Serine/threonine-protein kinase TAO2 [Protein kinase superfamily. STE Ser/Thr protein kinase family. STE20 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (TAOK2_RAT):D: Protein kinase (34:39, 42, 55, 57, 89, 105:111, 113, 114, 155, 156, 158, 169)
314
34:39, 42, 55, 57, 89, 105:111, 113, 114, 155, 156, 158, 169, 314

Full PDB list

1u5q, 1u5r, 2gcd

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
3
4
G
3
5
H
3
6
G
3
7
S
3
8
F
3
9
V
4
2
A
5
5
K
5
7
I
8
9
M
1
0
5
E
1
0
6
Y
1
0
7
C
1
0
8
L
1
0
9
G
1
1
0
S
1
1
1
G
1
5
5
N
1
5
6
L
1
5
8
D
1
6
9
K
3
1
4
[1]1u5q.a none . . . . . . . . . . . . . . . . . . . . . .
[1]1u5r.a atp,mg,mg33 . . . . . . . . . . . . . . . . . . . . . .
[1]2gcd.a stu35 . . . . . . . . . . . . . . . . . . . . . .

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
4
G
3
5
H
3
6
G
3
7
S
3
8
F
3
9
V
4
2
A
5
5
K
5
7
I
8
9
M
1
0
5
E
1
0
6
Y
1
0
7
C
1
0
8
L
1
0
9
G
1
1
0
S
1
1
1
S
1
1
3
D
1
1
4
G
1
5
5
N
1
5
6
L
1
5
8
D
1
6
9
K
3
1
4
[1]1u5q.a . . . . . * . . . . . . . . . . . . . . . . . .
[1]1u5r.a . . . . . . . . . . . . . . . . . . . . . . . .
[1]2gcd.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
1u5q.a is apo
1u5r.a:atp,mg
2gcd.a:stu
[1] 1u5q.a
-
1.4 0.6
[1] 1u5r.a -
0.1
1.1
[1] 2gcd.a - 1.9
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
1u5q.a
1u5r.a
2gcd.a
[1] 1u5q.a
0
.09 .06
[1] 1u5r.a .09
0
.12
[1] 2gcd.a .06 .12
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
1u5q.a
1u5r.a
2gcd.a
[1] 1u5q.a
0
0.8 0.4
[1] 1u5r.a 0.8
0
0.8
[1] 2gcd.a 0.4 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
1u5q.a
1u5r.a
2gcd.a
[1] 1u5q.a
0
1.6 0.8
[1] 1u5r.a 1.6
0
1.6
[1] 2gcd.a 0.8 1.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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