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.

PETH_IDESA_28_290

Poly(ethylene terephthalate) hydrolase [AB hydrolase superfamily]

Composition of the binding site

Protein chains homodimer
A1 (PETH_IDESA):86, 87, 159:161, 185, 208, 23786, 87, 159:161, 185, 208, 237
A2 (PETH_IDESA):61, 132, 133, 13661, 132, 133, 136

Full PDB list

5xfy, 5xfz, 5xg0, 5xh2, 5xh3, 5xjh, 5yns (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
G
8
6
Y
8
7
W
1
5
9
S
1
6
0
M
1
6
1
W
1
8
5
I
2
0
8
H
2
3
7
S
6
1
R
1
3
2
Q
1
3
3
S
1
3
6
[1]5xfz.a none . . . A . . . . . G . .
[1]5xh2.a npo10 . . . A . . . . . G . .
[1]5xh3.a 85616 . . . A . . . . . G . .
[2]5xfy.a none . . . A . . . . . . . .
[3]5yns.a none . . . . . . . . . . . .

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 A2
G
8
6
Y
8
7
W
1
5
9
S
1
6
0
M
1
6
1
W
1
8
5
I
2
0
8
H
2
3
7
S
6
1
R
1
3
2
Q
1
3
3
S
1
3
6
[1]5xfz.a . . . A . . . . . G . .
[1]5xh2.a . . . A . . . . . G . .
[1]5xh3.a . . . A . . . . . G . .
[2]5xfy.a . . . A . . . . . * . .
[3]5yns.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
5xfz.a is apo
5xh2.a:npo
5xh3.a:856
5xfy.a is apo
5yns.a is apo
[1] 5xfz.a
-
0.1 0.2 - -
[1] 5xh2.a -
0
0.2 - -
[1] 5xh3.a - 0
0.2
- -
[2] 5xfy.a - 2.8 3.8
-
-
[3] 5yns.a - 2.4 3.9 -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (3 clusters)

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
5xfz.a
5xh2.a
5xh3.a
5xfy.a
5yns.a
[1] 5xfz.a
0
.01 .01 .28 .31
[1] 5xh2.a .01
0
0 .28 .30
[1] 5xh3.a .01 0
0
.28 .30
[2] 5xfy.a .28 .28 .28
0
.32
[3] 5yns.a .31 .30 .30 .32
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

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
5xfz.a
5xh2.a
5xh3.a
5xfy.a
5yns.a
[1] 5xfz.a
0
0.2 0.2 0.2 0.4
[1] 5xh2.a 0.2
0
0.2 0.2 0.4
[1] 5xh3.a 0.2 0.2
0
0.3 0.4
[2] 5xfy.a 0.2 0.2 0.3
0
0.4
[3] 5yns.a 0.4 0.4 0.4 0.4
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

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
5xfz.a
5xh2.a
5xh3.a
5xfy.a
5yns.a
[1] 5xfz.a
0
0.2 0.2 0.3 0.8
[1] 5xh2.a 0.2
0
0.2 0.3 0.7
[1] 5xh3.a 0.2 0.2
0
0.4 0.8
[2] 5xfy.a 0.3 0.3 0.4
0
1.2
[3] 5yns.a 0.8 0.7 0.8 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...