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BGLA_PAEPO_2_448

Beta-glucosidase A [Glycosyl hydrolase 1 family]

Composition of the binding site

Protein chains monomer
A1 (BGLA_PAEPO):20, 121, 122, 165, 166, 296, 326, 352, 398, 405, 406, 41420, 121, 122, 165, 166, 296, 326, 352, 398, 405, 406, 414

Full PDB list

1bga, 1bgg, 1e4i, 1tr1, 1uyq (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
Q
2
0
H
1
2
1
W
1
2
2
N
1
6
5
E
1
6
6
Y
2
9
6
W
3
2
6
E
3
5
2
W
3
9
8
E
4
0
5
W
4
0
6
F
4
1
4
[1]1bgg.b gco13 . . . . . . . . . . . .
[1]1e4i.a g2f11 . . . . . . . * . . . .
[1]1tr1.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

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PDB.ch
A1
Q
2
0
H
1
2
1
W
1
2
2
N
1
6
5
E
1
6
6
Y
2
9
6
W
3
2
6
E
3
5
2
W
3
9
8
E
4
0
5
W
4
0
6
F
4
1
4
[1]1bgg.b . . . . . . . . . . . .
[1]1e4i.a . . . . . . . * . . . .
[1]1tr1.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
1bgg.b:gco
1e4i.a:g2f
1tr1.a is apo
[1] 1bgg.b
1.0
0.4 -
[1] 1e4i.a 1.5
1.0
-
[1] 1tr1.a 1.4 0.6
-
[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
1bgg.b
1e4i.a
1tr1.a
[1] 1bgg.b
0
.07 .03
[1] 1e4i.a .07
0
.05
[1] 1tr1.a .03 .05
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
1bgg.b
1e4i.a
1tr1.a
[1] 1bgg.b
0
0.5 0.5
[1] 1e4i.a 0.5
0
0.2
[1] 1tr1.a 0.5 0.2
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

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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
1bgg.b
1e4i.a
1tr1.a
[1] 1bgg.b
0
0.5 0.5
[1] 1e4i.a 0.5
0
0.6
[1] 1tr1.a 0.5 0.6
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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