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ESTB_BURGA_1_392

Esterase EstB [Class-A beta-lactamase family]

Composition of the binding site

Protein chains monomer
A1 (ESTB_BURGA):74, 75, 133, 135, 150, 152, 181, 275, 348:351, 37774, 75, 133, 135, 150, 152, 181, 275, 348:351, 377

Full PDB list

1ci8, 1ci9

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
A
7
4
S
7
5
Y
1
3
3
L
1
3
5
I
1
5
2
Y
1
8
1
A
2
7
5
W
3
4
8
G
3
4
9
G
3
5
0
V
3
5
1
[1]1ci8.a none . . . . . . . . . . .
[1]1ci9.a dfp10 . * . . . . . . . . .

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
A
7
4
S
7
5
Y
1
3
3
L
1
3
5
D
1
5
0
I
1
5
2
Y
1
8
1
A
2
7
5
W
3
4
8
G
3
4
9
G
3
5
0
V
3
5
1
M
3
7
7
[1]1ci8.a . . . . . . . . . . . . .
[1]1ci9.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
1ci8.a is apo
1ci9.a:dfp
[1] 1ci8.a
-
0.5
[1] 1ci9.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
1ci8.a
1ci9.a
[1] 1ci8.a
0
.01
[1] 1ci9.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.1 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
1ci8.a
1ci9.a
[1] 1ci8.a
0
0.2
[1] 1ci9.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
1ci8.a
1ci9.a
[1] 1ci8.a
0
0.2
[1] 1ci9.a 0.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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