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EGS1_OCIBA_1_314

Eugenol synthase 1 [NmrA-type oxidoreductase family]

Composition of the binding site

Protein chains monomer
A1 (EGS1_OCIBA):85, 113, 114, 125, 152, 153, 157, 158, 161, 258, 261, 262, 265, 312, 31485, 113, 114, 125, 152, 153, 157, 158, 161, 258, 261, 262, 265, 312, 314
Cofactors (cF):nap/ndp

Full PDB list

2qw8, 2qx7, 2qys, 2qzz, 2r2g, 2r6j, 3c3x (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
F
8
5
G
1
1
3
V
1
1
4
F
1
2
5
N
1
5
2
C
1
5
3
Y
1
5
7
F
1
5
8
Y
1
6
1
P
2
5
8
I
2
6
1
L
2
6
2
L
2
6
5
A
3
1
2
F
3
1
4
[1]2qzz.a emf17 . . . . . . . . . . . . . . . nap
[1]2r6j.a none . . . . . . . . . . . . . . . ndp
[1]3c3x.a none V . . . . . . . . . . . . . . nap

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 cF
F
8
5
G
1
1
3
V
1
1
4
F
1
2
5
N
1
5
2
C
1
5
3
Y
1
5
7
F
1
5
8
Y
1
6
1
P
2
5
8
I
2
6
1
L
2
6
2
L
2
6
5
A
3
1
2
F
3
1
4
[1]2qzz.a . . . . . . . . . . . . . . . nap
[1]2r6j.a . . . . . . . . . . . . . . . ndp
[1]3c3x.a V . . . . . . . . . . . . . . nap

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
2qzz.a:emf
2r6j.a is apo
3c3x.a is apo
[1] 2qzz.a
0
- -
[1] 2r6j.a 0.1
-
-
[1] 3c3x.a 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
2qzz.a
2r6j.a
3c3x.a
[1] 2qzz.a
0
.01 .01
[1] 2r6j.a .01
0
0
[1] 3c3x.a .01 0
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
2qzz.a
2r6j.a
3c3x.a
[1] 2qzz.a
0
0.3 0.5
[1] 2r6j.a 0.3
0
0.6
[1] 3c3x.a 0.5 0.6
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

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
2qzz.a
2r6j.a
3c3x.a
[1] 2qzz.a
0
0.5 0.5
[1] 2r6j.a 0.5
0
0.6
[1] 3c3x.a 0.5 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

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