If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

EST2_PSEFL_1_218

Carboxylesterase 2 [AB hydrolase superfamily. AB hydrolase 2 family]

Composition of the binding site

Protein chains monomer
A1 (EST2_PSEFL):22, 23, 58, 70, 73, 114, 115, 170, 19922, 23, 58, 70, 73, 114, 115, 170, 199

Full PDB list

1auo, 1aur

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
2
3
I
5
8
M
7
3
S
1
1
4
Q
1
1
5
V
1
7
0
H
1
9
9
[1]1auo.a none . . . . . . .
[1]1aur.a pms10 . . . * . . .

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
G
2
2
L
2
3
I
5
8
I
7
0
M
7
3
S
1
1
4
Q
1
1
5
V
1
7
0
H
1
9
9
[1]1auo.a . . . . . . . . .
[1]1aur.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

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1auo.a is apo
1aur.a:pms
[1] 1auo.a
-
0.6
[1] 1aur.a -
0.4
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1auo.a
1aur.a
[1] 1auo.a
0
.02
[1] 1aur.a .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.2 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone 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
1auo.a
1aur.a
[1] 1auo.a
0
0.2
[1] 1aur.a 0.2
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

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
1auo.a
1aur.a
[1] 1auo.a
0
0.5
[1] 1aur.a 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...