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CLOQ_STRRC_2_324

4-hydroxyphenylpyruvate 3-dimethylallyltransferase [Aromatic prenyltransferase family]

Composition of the binding site

Protein chains monomer
A1 (CLOQ_STRRC):68, 122, 160, 161, 174, 215, 233, 235, 266, 281, 288, 292, 29768, 122, 160, 161, 174, 215, 233, 235, 266, 281, 288, 292, 297

Full PDB list

2xlq, 2xly, 2xm5, 2xm7 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
F
6
8
R
1
6
0
F
1
6
1
Y
1
7
4
C
2
1
5
Y
2
3
3
L
2
3
5
E
2
8
1
L
2
9
2
C
2
9
7
[1]2xly.a none . . . . . . . . . .
[1]2xm5.a none . . . . S . . . . .
[1]2xm7.a 34h13 . . . . * . . . . .

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
6
8
W
1
2
2
R
1
6
0
F
1
6
1
Y
1
7
4
C
2
1
5
Y
2
3
3
L
2
3
5
V
2
6
6
E
2
8
1
M
2
8
8
L
2
9
2
C
2
9
7
[1]2xly.a . . . . . * . . . . . . .
[1]2xm5.a . . . . . S * . . . . . .
[1]2xm7.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
2xly.a is apo
2xm5.a is apo
2xm7.a:34h
[1] 2xly.a
-
- 0.8
[1] 2xm5.a -
-
2.3
[1] 2xm7.a - -
0.4
[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
2xly.a
2xm5.a
2xm7.a
[1] 2xly.a
0
.22 .03
[1] 2xm5.a .22
0
.21
[1] 2xm7.a .03 .21
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
2xly.a
2xm5.a
2xm7.a
[1] 2xly.a
0
0.5 0.3
[1] 2xm5.a 0.5
0
0.4
[1] 2xm7.a 0.3 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
2xly.a
2xm5.a
2xm7.a
[1] 2xly.a
0
1.5 0.5
[1] 2xm5.a 1.5
0
1.5
[1] 2xm7.a 0.5 1.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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