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FAK2_HUMAN_414_692

Protein-tyrosine kinase 2-beta [Protein kinase superfamily. Tyr protein kinase family. FAK subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (FAK2_HUMAN):D: Protein kinase (431:439, 455, 457, 470:475, 477, 478, 481, 486, 487, 502:506, 508, 509, 512, 540, 547, 553, 554, 556, 565:570, 572, 573, 576)431:439, 455, 457, 470:475, 477, 478, 481, 486, 487, 502:506, 508, 509, 512, 540, 547, 553, 554, 556, 565:570, 572, 573, 576

Full PDB list

3cc6, 3et7, 3fzo, 3fzp, 3fzr, 3fzs, 3fzt, 3h3c, 4h1j, 4h1m, 5to8, 5tob (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
4
3
1
G
4
3
2
E
4
3
3
G
4
3
4
F
4
3
5
F
4
3
6
V
4
3
9
A
4
5
5
K
4
5
7
S
4
7
3
E
4
7
4
I
4
7
7
M
4
7
8
L
4
8
1
I
4
8
6
V
4
8
7
M
5
0
2
E
5
0
3
L
5
0
4
Y
5
0
5
G
5
0
8
E
5
0
9
H
5
1
2
L
5
4
0
H
5
4
7
R
5
5
3
L
5
5
6
L
5
6
5
G
5
6
6
D
5
6
7
F
5
6
8
R
5
7
2
D
5
7
6
[1]3cc6.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]3fzs.a b9639 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[1]3fzt.a 4jz33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4h1j.a 0yh34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4h1m.a 0yj35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[1]5tob.a yam35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[2]3et7.a 34937 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[2]3fzp.a ags31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[2]3fzr.a 3jz35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[2]3h3c.a p1e31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[2]5to8.a 7fm39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -

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
L
4
3
1
G
4
3
2
E
4
3
3
G
4
3
4
F
4
3
5
F
4
3
6
G
4
3
7
E
4
3
8
V
4
3
9
A
4
5
5
K
4
5
7
K
4
7
0
F
4
7
1
M
4
7
2
S
4
7
3
E
4
7
4
A
4
7
5
I
4
7
7
M
4
7
8
L
4
8
1
I
4
8
6
V
4
8
7
M
5
0
2
E
5
0
3
L
5
0
4
Y
5
0
5
P
5
0
6
G
5
0
8
E
5
0
9
H
5
1
2
L
5
4
0
H
5
4
7
R
5
5
3
N
5
5
4
L
5
5
6
L
5
6
5
G
5
6
6
D
5
6
7
F
5
6
8
G
5
6
9
L
5
7
0
R
5
7
2
Y
5
7
3
D
5
7
6
[1]3cc6.a . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * * . . . * -
[1]3fzs.a . . . . . . . . . . * . . . . . . . . . . . . . * . . . . . . . . . . . . . * . - - - -
[1]3fzt.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . - .
[1]4h1j.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . - .
[1]4h1m.a . . . . . . . . . . * . . . . . . . . . . . . . * . . . . . . . . . . . . . * . . - - -
[1]5tob.a . . . * . . . . . . * . . . . * . . . . . . . . . . . . . . . . . . . . . * * . - - - -
[2]3et7.a . . . * . . . . . . * . . . * * . . . . . . . . . . . . . . . . . . . . . * . . * . - -
[2]3fzp.a . . . * . . . . . . * . . . . * . . * . . . . . . . . . . . . . . . . . . * . . - - - -
[2]3fzr.a . . . * . . . . . . * . . . * * . . . . . . . . . . . . . . . . . . . . . * . . * . - -
[2]3h3c.a . . . * . . . . . . . . . . . * . . * . . . . . . . . . . . . . . . . . . * . . * - - -
[2]5to8.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
3cc6.a is apo
3fzs.a:b96
3fzt.a:4jz
4h1j.a:0yh
4h1m.a:0yj
5tob.a:yam
3et7.a:349
3fzp.a:ags
3fzr.a:3jz
3h3c.a:p1e
5to8.a:7fm
[1] 3cc6.a
-
6.1 6.1 6.5 6.5 0 0.3 1.2 0.2 0.1 0.1
[1] 3fzs.a -
0
1.2 0.8 0 2.4 2.7 4.8 2.6 2.3 2.0
[1] 3fzt.a - 0.5
0
0.1 0.5 1.8 2.0 4.2 2.6 1.9 1.4
[1] 4h1j.a - 0.3 0
0
0.2 1.7 1.8 3.3 1.6 1.5 1.5
[1] 4h1m.a - 0.3 1.5 1.3
0
2.8 2.9 4.9 3.7 2.8 2.3
[1] 5tob.a - 7.8 7.3 7.1 8.2
0
0.3 1.2 0.5 0 0
[2] 3et7.a - 12 11 10 13 0.2
0
1.6 0.5 0.1 0.1
[2] 3fzp.a - 8.6 8.4 8.4 9.7 0.6 0.4
0.4
0.8 0.1 0.4
[2] 3fzr.a - 11 10 9.8 12 0 0.2 1.6
0.1
0 0
[2] 3h3c.a - 11 10 9.6 12 0.3 0.3 1.0 0.7
0
0.5
[2] 5to8.a - 9.2 8.5 8.4 8.9 0 0.3 1.2 0.6 0.2
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
3cc6.a
3fzs.a
3fzt.a
4h1j.a
4h1m.a
5tob.a
3et7.a
3fzp.a
3fzr.a
3h3c.a
5to8.a
[1] 3cc6.a
0
.22 .21 .20 .22 .14 .35 .25 .33 .30 .24
[1] 3fzs.a .22
0
.10 .07 .04 .26 .45 .35 .43 .42 .35
[1] 3fzt.a .21 .10
0
.05 .12 .26 .44 .35 .42 .40 .32
[1] 4h1j.a .20 .07 .05
0
.10 .24 .42 .32 .39 .39 .31
[1] 4h1m.a .22 .04 .12 .10
0
.27 .45 .36 .43 .42 .35
[1] 5tob.a .14 .26 .26 .24 .27
0
.23 .15 .21 .18 .19
[2] 3et7.a .35 .45 .44 .42 .45 .23
0
.20 .04 .15 .16
[2] 3fzp.a .25 .35 .35 .32 .36 .15 .20
0
.19 .12 .26
[2] 3fzr.a .33 .43 .42 .39 .43 .21 .04 .19
0
.13 .14
[2] 3h3c.a .30 .42 .40 .39 .42 .18 .15 .12 .13
0
.20
[2] 5to8.a .24 .35 .32 .31 .35 .19 .16 .26 .14 .20
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.6 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
3cc6.a
3fzs.a
3fzt.a
4h1j.a
4h1m.a
5tob.a
3et7.a
3fzp.a
3fzr.a
3h3c.a
5to8.a
[1] 3cc6.a
0
1.8 2.0 2.0 1.7 1.5 2.8 2.1 2.7 2.2 2.3
[1] 3fzs.a 1.8
0
0.8 0.8 0.5 2.3 2.8 2.7 2.7 2.5 1.9
[1] 3fzt.a 2.0 0.8
0
0.2 0.9 2.1 3.4 2.5 3.4 2.7 3.0
[1] 4h1j.a 2.0 0.8 0.2
0
0.8 2.1 3.4 2.5 3.4 2.7 3.0
[1] 4h1m.a 1.7 0.5 0.9 0.8
0
2.2 3.0 2.6 3.0 2.8 2.5
[1] 5tob.a 1.5 2.3 2.1 2.1 2.2
0
1.1 1.2 1.0 1.0 1.0
[2] 3et7.a 2.8 2.8 3.4 3.4 3.0 1.1
0
1.2 0.4 0.9 1.3
[2] 3fzp.a 2.1 2.7 2.5 2.5 2.6 1.2 1.2
0
1.1 0.7 1.2
[2] 3fzr.a 2.7 2.7 3.4 3.4 3.0 1.0 0.4 1.1
0
0.9 1.2
[2] 3h3c.a 2.2 2.5 2.7 2.7 2.8 1.0 0.9 0.7 0.9
0
1.0
[2] 5to8.a 2.3 1.9 3.0 3.0 2.5 1.0 1.3 1.2 1.2 1.0
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.0 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
3cc6.a
3fzs.a
3fzt.a
4h1j.a
4h1m.a
5tob.a
3et7.a
3fzp.a
3fzr.a
3h3c.a
5to8.a
[1] 3cc6.a
0
2.6 2.7 2.7 2.5 1.7 3.5 2.6 3.5 3.0 2.9
[1] 3fzs.a 2.6
0
1.1 0.9 0.5 2.9 3.0 3.0 3.0 3.0 2.5
[1] 3fzt.a 2.7 1.1
0
0.6 1.2 2.8 4.0 2.7 4.1 3.4 3.4
[1] 4h1j.a 2.7 0.9 0.6
0
1.0 2.8 4.0 2.7 4.1 3.4 3.4
[1] 4h1m.a 2.5 0.5 1.2 1.0
0
2.8 3.5 2.9 3.4 3.4 3.1
[1] 5tob.a 1.7 2.9 2.8 2.8 2.8
0
1.9 1.9 1.8 1.8 1.8
[2] 3et7.a 3.5 3.0 4.0 4.0 3.5 1.9
0
1.5 0.5 1.4 1.6
[2] 3fzp.a 2.6 3.0 2.7 2.7 2.9 1.9 1.5
0
1.5 1.0 1.4
[2] 3fzr.a 3.5 3.0 4.1 4.1 3.4 1.8 0.5 1.5
0
1.4 1.5
[2] 3h3c.a 3.0 3.0 3.4 3.4 3.4 1.8 1.4 1.0 1.4
0
1.3
[2] 5to8.a 2.9 2.5 3.4 3.4 3.1 1.8 1.6 1.4 1.5 1.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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