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BTK_HUMAN_2_170

Tyrosine-protein kinase BTK [Protein kinase superfamily. Tyr protein kinase family. TEC subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BTK_HUMAN):D: PH (12, 14:18, 20:22, 24, 26, 28, 39, 53)
R: Inositol-(1,3,4,5)-tetrakisphosphate 1- binding (12, 14:18, 20:22, 24)
12, 14:18, 20:22, 24, 26, 28, 39, 53

Full PDB list

1b55, 1btk, 1bwn, 2z0p, 4y93, 4y94 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
K
1
2
S
1
4
Q
1
5
Q
1
6
K
1
7
K
1
8
S
2
1
P
2
2
N
2
4
K
2
6
R
2
8
Y
3
9
K
5
3
[1]1btk.b none . . . . . . . . . . C . .
[1]1bwn.a 4ip28 . . . . . . . . . . . . .
[1]2z0p.a 4pt28 . . . . . . . . . . . . .
[1]4y93.a none . . - - - - - - . . . . .
[1]4y94.c ihp36 . . . - - - - - . . . . .

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
K
1
2
S
1
4
Q
1
5
Q
1
6
K
1
7
K
1
8
T
2
0
S
2
1
P
2
2
N
2
4
K
2
6
R
2
8
Y
3
9
K
5
3
[1]1btk.b . . . . . . . . . . . C . .
[1]1bwn.a . . . . . . . * . . . . . .
[1]2z0p.a . . . . . . . * . . . . . .
[1]4y93.a . . - - - - - - - . . . . .
[1]4y94.c . . . - - - - - - . . . . .

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
1btk.b is apo
1bwn.a:4ip
2z0p.a:4pt
4y93.a is apo
4y94.c:ihp
[1] 1btk.b
-
0.7 0.5 - 0.8
[1] 1bwn.a -
0.3
0.5 - 1.8
[1] 2z0p.a - 0.5
0.1
- 1.9
[1] 4y93.a - 0.3 0.3
-
0.2
[1] 4y94.c - 0.1 0.1 -
0.1
[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
1btk.b
1bwn.a
2z0p.a
4y93.a
4y94.c
[1] 1btk.b
0
.19 .16 .06 .07
[1] 1bwn.a .19
0
.06 .14 .12
[1] 2z0p.a .16 .06
0
.14 .13
[1] 4y93.a .06 .14 .14
0
.02
[1] 4y94.c .07 .12 .13 .02
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
1btk.b
1bwn.a
2z0p.a
4y93.a
4y94.c
[1] 1btk.b
0
5.0 5.1 0.4 0.8
[1] 1bwn.a 5.0
0
0.5 0.3 0.7
[1] 2z0p.a 5.1 0.5
0
0.3 0.8
[1] 4y93.a 0.4 0.3 0.3
0
0.3
[1] 4y94.c 0.8 0.7 0.8 0.3
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

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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
1btk.b
1bwn.a
2z0p.a
4y93.a
4y94.c
[1] 1btk.b
0
4.5 4.6 1.2 1.5
[1] 1bwn.a 4.5
0
0.8 0.8 0.9
[1] 2z0p.a 4.6 0.8
0
1.1 1.0
[1] 4y93.a 1.2 0.8 1.1
0
0.8
[1] 4y94.c 1.5 0.9 1.0 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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