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CEL_BOVIN_19_550

Bile salt-activated lipase [Type-B carboxylesterase/lipase family]

Composition of the binding site

Protein chains monomer
A1 (CEL_BOVIN):242, 244, 300, 301, 317, 319, 368:372, 409, 413, 414, 417, 540, 545242, 244, 300, 301, 317, 319, 368:372, 409, 413, 414, 417, 540, 545

Full PDB list

1akn, 1aql, 2bce (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
L
2
4
2
H
3
0
1
D
3
1
7
V
3
1
9
G
3
6
8
L
3
6
9
T
3
7
0
V
3
7
1
T
3
7
2
I
4
0
9
P
4
1
4
I
4
1
7
W
5
4
0
Q
5
4
5
[1]1aql.a tch35 . . . . . . . . . . . . . .
[1]2bce.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
L
2
4
2
P
2
4
4
L
3
0
0
H
3
0
1
D
3
1
7
V
3
1
9
G
3
6
8
L
3
6
9
T
3
7
0
V
3
7
1
T
3
7
2
I
4
0
9
I
4
1
3
P
4
1
4
I
4
1
7
W
5
4
0
Q
5
4
5
[1]1aql.a . . . . . . . . . . . . . . . . .
[1]2bce.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
1aql.a:tch
2bce.a is apo
[1] 1aql.a
0
-
[1] 2bce.a 0.3
-
[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
1aql.a
2bce.a
[1] 1aql.a
0
.02
[1] 2bce.a .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
1aql.a
2bce.a
[1] 1aql.a
0
0.6
[1] 2bce.a 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
1aql.a
2bce.a
[1] 1aql.a
0
1.4
[1] 2bce.a 1.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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