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EXG1_CANAL_41_438

Glucan 1,3-beta-glucosidase [Glycosyl hydrolase 5 (cellulase A) family]

Composition of the binding site

Protein chains monomer
A1 (EXG1_CANAL):65, 67, 173, 182, 184, 229, 230, 232, 234, 267, 293, 296, 330, 342, 401, 41165, 67, 173, 182, 184, 229, 230, 232, 234, 267, 293, 296, 330, 342, 401, 411

Full PDB list

1cz1, 1eqc, 1eqp, 2pb1, 2pbo, 2pc8, 2pf0, 3n9k, 3o6a, 4m80, 4m81, 4m82 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
E
6
5
Y
6
7
H
1
7
3
F
1
8
2
N
1
8
4
N
2
2
9
E
2
3
0
L
2
3
2
P
2
3
4
F
2
6
7
Y
2
9
3
F
2
9
6
E
3
3
0
L
3
4
2
W
4
0
1
W
4
1
1
[1]1cz1.a none . . . . . . . . . . . . . . . .
[1]1eqc.a cts13 . . . . . . . . . . . . . . . .
[1]2pb1.a g2f,nfg35 . . . . . . . . . . . . * . . .
[1]2pbo.a none Q . . . . . . . . . . . . . . .
[1]2pc8.a none . . . . . . . . . . . . Q . . .
[1]2pf0.a none . . . . . . . . . . . I . . . .
[1]3n9k.a none . . . . . . . . . A . . S . . .
[1]3o6a.a none . . . Y . . . . . . . Y . . . .
[1]4m80.a none . . . . . . . . . . . . S . . .
[1]4m81.a glf,pnw33 . . . . . . . . . . . . S . . .
[1]4m82.a ngb32 . . . . . . . . . . . . S . . .

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
E
6
5
Y
6
7
H
1
7
3
F
1
8
2
N
1
8
4
N
2
2
9
E
2
3
0
L
2
3
2
P
2
3
4
F
2
6
7
Y
2
9
3
F
2
9
6
E
3
3
0
L
3
4
2
W
4
0
1
W
4
1
1
[1]1cz1.a . . . . . . . . . . . . * . . .
[1]1eqc.a . . . . . . . . . . . . * . . .
[1]2pb1.a . . . . . . . . . . . . * . . .
[1]2pbo.a Q . . . . . . . . . . . * . . .
[1]2pc8.a . . . . . . . . . . . . Q . . .
[1]2pf0.a . . . . . . . . . . . I * . . .
[1]3n9k.a . . . . . . . . . A . . S . . .
[1]3o6a.a . . . Y . . . . . . . Y * . . .
[1]4m80.a . . . . . . . . . . . . S . . .
[1]4m81.a . . . . . . . . . . . . S . . .
[1]4m82.a . . . . . . . . . . . . S . . .

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
1cz1.a is apo
1eqc.a:cts
2pb1.a:g2f,nfg
2pbo.a is apo
2pc8.a is apo
2pf0.a is apo
3n9k.a is apo
3o6a.a is apo
4m80.a is apo
4m81.a:glf,pnw
4m82.a:ngb
[1] 1cz1.a
-
0.7 0.7 - - - - - - 1.0 0.3
[1] 1eqc.a -
0
0.5 - - - - - - 0.9 0.4
[1] 2pb1.a - 0.4
0.9
- - - - - - 1.6 0.4
[1] 2pbo.a - 0.7 0.7
-
- - - - - 1.2 0.3
[1] 2pc8.a - 0.5 0.7 -
-
- - - - 0.8 0.5
[1] 2pf0.a - 0.7 0.9 - -
-
- - - 1.1 0.4
[1] 3n9k.a - 0.5 0.2 - - -
-
- - 0.3 0.1
[1] 3o6a.a - 0.6 0.7 - - - -
-
- 1.0 0.4
[1] 4m80.a - 0.5 0.2 - - - - -
-
0.3 0.1
[1] 4m81.a - 0.4 0.2 - - - - - -
0
0
[1] 4m82.a - 0.4 0.2 - - - - - - 0.2
0
[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
1cz1.a
1eqc.a
2pb1.a
2pbo.a
2pc8.a
2pf0.a
3n9k.a
3o6a.a
4m80.a
4m81.a
4m82.a
[1] 1cz1.a
0
.06 .08 .01 .04 .02 .07 .01 .07 .08 .06
[1] 1eqc.a .06
0
.07 .06 .06 .06 .09 .06 .09 .09 .08
[1] 2pb1.a .08 .07
0
.06 .08 .07 .11 .09 .11 .11 .10
[1] 2pbo.a .01 .06 .06
0
.05 .01 .08 .02 .08 .09 .08
[1] 2pc8.a .04 .06 .08 .05
0
.06 .03 .05 .03 .05 .04
[1] 2pf0.a .02 .06 .07 .01 .06
0
.09 .03 .09 .09 .08
[1] 3n9k.a .07 .09 .11 .08 .03 .09
0
.08 0 .02 .01
[1] 3o6a.a .01 .06 .09 .02 .05 .03 .08
0
.08 .09 .08
[1] 4m80.a .07 .09 .11 .08 .03 .09 0 .08
0
.02 .01
[1] 4m81.a .08 .09 .11 .09 .05 .09 .02 .09 .02
0
.01
[1] 4m82.a .06 .08 .10 .08 .04 .08 .01 .08 .01 .01
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

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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
1cz1.a
1eqc.a
2pb1.a
2pbo.a
2pc8.a
2pf0.a
3n9k.a
3o6a.a
4m80.a
4m81.a
4m82.a
[1] 1cz1.a
0
0.2 0.2 0.1 0.2 0.2 0.2 0.3 0.2 0.2 0.2
[1] 1eqc.a 0.2
0
0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.2 0.3
[1] 2pb1.a 0.2 0.2
0
0.1 0.1 0.2 0.2 0.2 0.1 0.2 0.2
[1] 2pbo.a 0.1 0.2 0.1
0
0.1 0.1 0.3 0.2 0.2 0.2 0.2
[1] 2pc8.a 0.2 0.2 0.1 0.1
0
0.2 0.2 0.3 0.1 0.1 0.2
[1] 2pf0.a 0.2 0.2 0.2 0.1 0.2
0
0.3 0.2 0.2 0.2 0.3
[1] 3n9k.a 0.2 0.3 0.2 0.3 0.2 0.3
0
0.4 0.2 0.1 0.1
[1] 3o6a.a 0.3 0.2 0.2 0.2 0.3 0.2 0.4
0
0.2 0.3 0.3
[1] 4m80.a 0.2 0.2 0.1 0.2 0.1 0.2 0.2 0.2
0
0.2 0.2
[1] 4m81.a 0.2 0.2 0.2 0.2 0.1 0.2 0.1 0.3 0.2
0
0.1
[1] 4m82.a 0.2 0.3 0.2 0.2 0.2 0.3 0.1 0.3 0.2 0.1
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
1cz1.a
1eqc.a
2pb1.a
2pbo.a
2pc8.a
2pf0.a
3n9k.a
3o6a.a
4m80.a
4m81.a
4m82.a
[1] 1cz1.a
0
0.3 0.4 0.1 0.3 0.5 0.7 0.5 0.3 0.3 0.3
[1] 1eqc.a 0.3
0
0.3 0.3 0.3 0.5 0.7 0.5 0.3 0.3 0.3
[1] 2pb1.a 0.4 0.3
0
0.3 0.2 0.6 0.6 0.5 0.2 0.2 0.2
[1] 2pbo.a 0.1 0.3 0.3
0
0.2 0.5 0.7 0.4 0.3 0.3 0.3
[1] 2pc8.a 0.3 0.3 0.2 0.2
0
0.5 0.6 0.5 0.1 0.2 0.2
[1] 2pf0.a 0.5 0.5 0.6 0.5 0.5
0
0.7 0.6 0.5 0.6 0.6
[1] 3n9k.a 0.7 0.7 0.6 0.7 0.6 0.7
0
0.8 0.6 0.6 0.6
[1] 3o6a.a 0.5 0.5 0.5 0.4 0.5 0.6 0.8
0
0.5 0.5 0.5
[1] 4m80.a 0.3 0.3 0.2 0.3 0.1 0.5 0.6 0.5
0
0.3 0.2
[1] 4m81.a 0.3 0.3 0.2 0.3 0.2 0.6 0.6 0.5 0.3
0
0.2
[1] 4m82.a 0.3 0.3 0.2 0.3 0.2 0.6 0.6 0.5 0.2 0.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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