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AHK4_ARATH_149_418

Histidine kinase 4

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AHK4_ARATH):D: CHASE (225, 227, 249, 264, 274, 279, 285, 304, 306, 307, 315, 317, 341:345)225, 227, 249, 264, 274, 279, 285, 304, 306, 307, 315, 317, 341:345

Full PDB list

3t4j, 3t4k, 3t4l, 3t4o, 3t4q, 3t4s, 3t4t (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
A
2
2
5
A
2
2
7
M
2
4
9
V
2
6
4
L
2
7
4
M
2
7
9
D
2
8
5
F
3
0
4
L
3
0
6
L
3
0
7
V
3
1
5
T
3
1
7
Y
3
4
1
G
3
4
3
A
3
4
5
[1]3t4j.b zip15 . . . . . . . . . . . . . . .
[1]3t4k.a emu17 . . . . . . . . . . . . . . .
[1]3t4l.b zea16 . . . . . . . . . . . . . . .
[1]3t4o.a wa216 . . . . . . . . . . . . . . .
[1]3t4s.a h3516 . . . . . . . . . . . . . . .
[1]3t4t.b wa115 . . . . . . . . . . . . . . .

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
A
2
2
5
A
2
2
7
M
2
4
9
V
2
6
4
L
2
7
4
M
2
7
9
D
2
8
5
F
3
0
4
L
3
0
6
L
3
0
7
V
3
1
5
T
3
1
7
Y
3
4
1
L
3
4
2
G
3
4
3
G
3
4
4
A
3
4
5
[1]3t4j.b . . . . . . . . . . . . . . . . .
[1]3t4k.a . . . . . . . . . . . . . . . . .
[1]3t4l.b . . . . . . . . . . . . . . . . .
[1]3t4o.a . . . . . . . . . . . . . . . . .
[1]3t4s.a . . . . . . . . . . . . . . . . .
[1]3t4t.b . . . . . . . . . . . . . . . . .

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
3t4j.b:zip
3t4k.a:emu
3t4l.b:zea
3t4o.a:wa2
3t4s.a:h35
3t4t.b:wa1
[1] 3t4j.b
0
0.1 0 0.1 0.1 0.1
[1] 3t4k.a 0
0.1
0 0.1 0.1 0
[1] 3t4l.b 0 0
0
0 0 0.1
[1] 3t4o.a 0 0.1 0
0.1
0 0
[1] 3t4s.a 0 0.1 0 0.1
0.1
0.1
[1] 3t4t.b 0.1 0.1 0.1 0.1 0.1
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
3t4j.b
3t4k.a
3t4l.b
3t4o.a
3t4s.a
3t4t.b
[1] 3t4j.b
0
.01 .01 .01 .01 .01
[1] 3t4k.a .01
0
.01 0 0 0
[1] 3t4l.b .01 .01
0
.01 .01 .01
[1] 3t4o.a .01 0 .01
0
0 0
[1] 3t4s.a .01 0 .01 0
0
0
[1] 3t4t.b .01 0 .01 0 0
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
3t4j.b
3t4k.a
3t4l.b
3t4o.a
3t4s.a
3t4t.b
[1] 3t4j.b
0
0.2 0.1 0.1 0.1 0.1
[1] 3t4k.a 0.2
0
0.2 0.1 0.1 0.2
[1] 3t4l.b 0.1 0.2
0
0.1 0.1 0.2
[1] 3t4o.a 0.1 0.1 0.1
0
0.1 0.2
[1] 3t4s.a 0.1 0.1 0.1 0.1
0
0.1
[1] 3t4t.b 0.1 0.2 0.2 0.2 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
3t4j.b
3t4k.a
3t4l.b
3t4o.a
3t4s.a
3t4t.b
[1] 3t4j.b
0
0.4 0.1 0.4 0.4 0.3
[1] 3t4k.a 0.4
0
0.4 0.2 0.2 0.4
[1] 3t4l.b 0.1 0.4
0
0.4 0.4 0.3
[1] 3t4o.a 0.4 0.2 0.4
0
0.1 0.4
[1] 3t4s.a 0.4 0.2 0.4 0.1
0
0.3
[1] 3t4t.b 0.3 0.4 0.3 0.4 0.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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