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KAI2_ARATH_1_270

Probable esterase KAI2 [AB hydrolase superfamily]

Composition of the binding site

Protein chains monomer
A1 (KAI2_ARATH):26, 124, 134, 139, 142, 157, 161, 193, 194, 218, 219, 24626, 124, 134, 139, 142, 157, 161, 193, 194, 218, 219, 246

Full PDB list

3w06, 4hrx, 4hry, 4hta, 4ih1, 4jym, 4jyp (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
F
2
6
Y
1
2
4
F
1
3
4
L
1
3
9
L
1
4
2
F
1
5
7
A
1
6
1
I
1
9
3
F
1
9
4
A
2
1
9
H
2
4
6
[1]3w06.a none . . . . . . . . . . .
[1]4hry.a tam11 . . . . . . . . . . .
[1]4jym.a kkn11 . . . . . . . . . . .

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
F
2
6
Y
1
2
4
F
1
3
4
L
1
3
9
L
1
4
2
F
1
5
7
A
1
6
1
I
1
9
3
F
1
9
4
L
2
1
8
A
2
1
9
H
2
4
6
[1]3w06.a . . . . . . . . * . . .
[1]4hry.a . . . . . . . . * . . .
[1]4jym.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
3w06.a is apo
4hry.a:tam
4jym.a:kkn
[1] 3w06.a
-
0.3 2.1
[1] 4hry.a -
0
1.9
[1] 4jym.a - 1.4
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
3w06.a
4hry.a
4jym.a
[1] 3w06.a
0
.02 .08
[1] 4hry.a .02
0
.06
[1] 4jym.a .08 .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
3w06.a
4hry.a
4jym.a
[1] 3w06.a
0
0.2 0.2
[1] 4hry.a 0.2
0
0.2
[1] 4jym.a 0.2 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
3w06.a
4hry.a
4jym.a
[1] 3w06.a
0
0.9 0.8
[1] 4hry.a 0.9
0
0.9
[1] 4jym.a 0.8 0.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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