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BAK1_ARATH_253_588_ATPsite

BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1 [Protein kinase superfamily. Ser/Thr protein kinase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BAK1_ARATH):D: Protein kinase (295:298, 300, 303, 315, 347, 363:366, 370, 418, 420, 423, 434, 455)295:298, 300, 303, 315, 347, 363:366, 370, 418, 420, 423, 434, 455

Full PDB list

3tl8, 3uim, 3ulz

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
2
9
5
R
2
9
7
G
2
9
8
V
3
0
3
A
3
1
5
P
3
6
4
Y
3
6
5
M
3
6
6
K
4
1
8
A
4
2
0
L
4
2
3
D
4
3
4
[1]3tl8.a none . . . . . . . . . . . .
[1]3tl8.g E9 . . . . . . . . . . . .
[1]3uim.a anp31 . . . . . . . . . . . .
[1]3ulz.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
L
2
9
5
G
2
9
6
R
2
9
7
G
2
9
8
F
3
0
0
V
3
0
3
A
3
1
5
L
3
4
7
Y
3
6
3
P
3
6
4
Y
3
6
5
M
3
6
6
S
3
7
0
K
4
1
8
A
4
2
0
L
4
2
3
D
4
3
4
T
4
5
5
[1]3tl8.a . . . . . . . . . . . . . . . . . .
[1]3tl8.g . . . . . . . . . . . . . . . . . .
[1]3uim.a . . . . . . . . . . . . . . . . . *
[1]3ulz.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
3tl8.a is apo
3tl8.g:E
3uim.a:anp
3ulz.a is apo
[1] 3tl8.a
-
0 0.4 -
[1] 3tl8.g -
0
0.1 -
[1] 3uim.a - 0
0
-
[1] 3ulz.a - 0.1 0.2
-
[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
3tl8.a
3tl8.g
3uim.a
3ulz.a
[1] 3tl8.a
0
.02 .02 .04
[1] 3tl8.g .02
0
.01 .02
[1] 3uim.a .02 .01
0
.02
[1] 3ulz.a .04 .02 .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.8 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
3tl8.a
3tl8.g
3uim.a
3ulz.a
[1] 3tl8.a
0
0.5 1.9 2.0
[1] 3tl8.g 0.5
0
2.0 2.0
[1] 3uim.a 1.9 2.0
0
0.6
[1] 3ulz.a 2.0 2.0 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.3 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
3tl8.a
3tl8.g
3uim.a
3ulz.a
[1] 3tl8.a
0
0.8 2.8 2.8
[1] 3tl8.g 0.8
0
2.9 2.9
[1] 3uim.a 2.8 2.9
0
0.7
[1] 3ulz.a 2.8 2.9 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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