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FAK1_HUMAN_919_1052_pep

Focal adhesion kinase 1 [Protein kinase superfamily. Tyr protein kinase family. FAK subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (FAK1_HUMAN):R: Interaction with TGFB1I1 (909:915, 919, 925, 928, 929, 932, 933, 935, 936, 939, 1025, 1028, 1029, 1032, 1035)
R: Interaction with ARHGEF28 (912:915, 919, 925, 928, 929, 932, 933, 935, 936, 939, 1025, 1028, 1029, 1032, 1035)
909:915, 919, 925, 928, 929, 932, 933, 935, 936, 939, 1025, 1028, 1029, 1032, 1035

Full PDB list

1k04, 1k05, 1k40, 1ow6, 1ow7, 1ow8, 3b71, 3s9o, 5f28 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
R
9
1
9
Y
9
2
5
V
9
2
8
T
9
2
9
V
9
3
2
K
9
3
3
V
9
3
5
I
9
3
6
S
9
3
9
H
1
0
2
5
A
1
0
2
8
V
1
0
2
9
K
1
0
3
2
L
1
0
3
5
[1]1ow7.a TRELDELMASLS94 . . . . . . . . . . . . . .
[1]1ow8.a LSELDRLLLELN100 . . . . . . . . . . . . . .
[1]3b71.a RMSQIKRLLSE93 . . . . . . . . . . . . . .
[2]3s9o.a none . . . . . . . . . . . . . .

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
9
0
9
S
9
1
0
P
9
1
1
P
9
1
2
P
9
1
3
T
9
1
4
A
9
1
5
R
9
1
9
Y
9
2
5
V
9
2
8
T
9
2
9
V
9
3
2
K
9
3
3
V
9
3
5
I
9
3
6
S
9
3
9
H
1
0
2
5
A
1
0
2
8
V
1
0
2
9
K
1
0
3
2
L
1
0
3
5
[1]1ow7.a - - - - - - - . . . . . . . . . . . . . .
[1]1ow8.a - - - - - - - . . . . . . . . . . . . . .
[1]3b71.a - - - - - - - . . . . . . . . . . . . . .
[2]3s9o.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
1ow7.a:TRELDELMASLS
1ow8.a:LSELDRLLLELN
3b71.a:RMSQIKRLLSE
3s9o.a is apo
[1] 1ow7.a
0
0.1 0.1 -
[1] 1ow8.a 0
0
0.1 -
[1] 3b71.a 0 0.1
0
-
[2] 3s9o.a 21 21 17
-
[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
1ow7.a
1ow8.a
3b71.a
3s9o.a
[1] 1ow7.a
0
0 0 .88
[1] 1ow8.a 0
0
.01 .89
[1] 3b71.a 0 .01
0
.89
[2] 3s9o.a .88 .89 .89
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
1ow7.a
1ow8.a
3b71.a
3s9o.a
[1] 1ow7.a
0
0.2 0.3 0.4
[1] 1ow8.a 0.2
0
0.3 0.4
[1] 3b71.a 0.3 0.3
0
0.4
[2] 3s9o.a 0.4 0.4 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
1ow7.a
1ow8.a
3b71.a
3s9o.a
[1] 1ow7.a
0
0.2 1.0 0.9
[1] 1ow8.a 0.2
0
1.0 0.9
[1] 3b71.a 1.0 1.0
0
1.2
[2] 3s9o.a 0.9 0.9 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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