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GAK_HUMAN_12_350

Cyclin-G-associated kinase [Protein kinase superfamily. Ser/Thr protein kinase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (GAK_HUMAN):D: Protein kinase (44, 46, 47, 54, 67, 69, 85, 89, 99, 121, 123:129, 177, 178, 180, 190, 191)
337
44, 46, 47, 54, 67, 69, 85, 89, 99, 121, 123:129, 177, 178, 180, 190, 191, 337

Full PDB list

4c57, 4c58, 4c59, 4o38, 4y8d (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
R
4
4
L
4
6
A
4
7
V
5
4
A
6
7
K
6
9
E
8
5
M
8
9
V
9
9
L
1
2
1
T
1
2
3
E
1
2
4
L
1
2
5
C
1
2
6
K
1
2
7
G
1
2
8
Q
1
2
9
E
1
7
7
N
1
7
8
L
1
8
0
C
1
9
0
D
1
9
1
[1]4c57.a fef27 . . . . . . . . . . . . . . . . . . . . . .
[1]4c58.a 82425 . . . . . . . . . . . . . . . . . . . . . .
[1]4o38.b none . . . . . . . * . . . . . . . . . . . . . .
[1]4y8d.b 49j24 . . . . . . . . . . . . . . . . . . . . . .

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
R
4
4
L
4
6
A
4
7
V
5
4
A
6
7
K
6
9
E
8
5
M
8
9
V
9
9
L
1
2
1
T
1
2
3
E
1
2
4
L
1
2
5
C
1
2
6
K
1
2
7
G
1
2
8
Q
1
2
9
E
1
7
7
N
1
7
8
L
1
8
0
C
1
9
0
D
1
9
1
G
3
3
7
[1]4c57.a . . . . . . . . . . . . . . . . . . . . . . -
[1]4c58.a . . . . . . . . . . . . . . . . . . . . . . -
[1]4o38.b . . . . . . . * . . . . . . . . . . . . . . .
[1]4y8d.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
4c57.a:fef
4c58.a:824
4o38.b is apo
4y8d.b:49j
[1] 4c57.a
0
0.3 - 0
[1] 4c58.a 0
0
- 0.1
[1] 4o38.b 0.1 0.2
-
0.1
[1] 4y8d.b 0.8 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
4c57.a
4c58.a
4o38.b
4y8d.b
[1] 4c57.a
0
.02 .01 .04
[1] 4c58.a .02
0
.02 .04
[1] 4o38.b .01 .02
0
.04
[1] 4y8d.b .04 .04 .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
4c57.a
4c58.a
4o38.b
4y8d.b
[1] 4c57.a
0
0.8 0.7 0.8
[1] 4c58.a 0.8
0
0.3 0.6
[1] 4o38.b 0.7 0.3
0
0.6
[1] 4y8d.b 0.8 0.6 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 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
4c57.a
4c58.a
4o38.b
4y8d.b
[1] 4c57.a
0
1.3 1.2 1.1
[1] 4c58.a 1.3
0
0.7 0.9
[1] 4o38.b 1.2 0.7
0
0.9
[1] 4y8d.b 1.1 0.9 0.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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