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FAEA_ASPNG_22_281

Feruloyl esterase A [AB hydrolase superfamily. FaeA family]

Composition of the binding site

Protein chains monomer
A1 (FAEA_ASPNG):89, 95, 98, 99, 101, 118, 121, 154, 155, 182, 217, 220, 221, 264, 26889, 95, 98, 99, 101, 118, 121, 154, 155, 182, 217, 220, 221, 264, 268

Full PDB list

1usw, 1uwc, 1uza, 2bjh, 2hl6, 2ix9 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
T
8
9
L
9
5
D
9
8
Y
1
0
1
Y
1
2
1
S
1
5
4
L
1
5
5
P
1
8
2
I
2
1
7
L
2
2
0
V
2
6
4
H
2
6
8
[1]1uwc.a fer14 . . . . . . . . . . . .
[1]2bjh.a fer14 . . . . . A . . . . . .
[1]2hl6.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
T
8
9
L
9
5
D
9
8
T
9
9
Y
1
0
1
H
1
1
8
Y
1
2
1
S
1
5
4
L
1
5
5
P
1
8
2
I
2
1
7
L
2
2
0
P
2
2
1
V
2
6
4
H
2
6
8
[1]1uwc.a . . . . . . . . . . . . . . .
[1]2bjh.a . . . . . . . A . . . . . . .
[1]2hl6.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
1uwc.a:fer
2bjh.a:fer
2hl6.a is apo
[1] 1uwc.a
0
0.1 -
[1] 2bjh.a 0.1
0
-
[1] 2hl6.a 0.4 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
1uwc.a
2bjh.a
2hl6.a
[1] 1uwc.a
0
.01 .03
[1] 2bjh.a .01
0
.03
[1] 2hl6.a .03 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
1uwc.a
2bjh.a
2hl6.a
[1] 1uwc.a
0
0.5 0.5
[1] 2bjh.a 0.5
0
0.3
[1] 2hl6.a 0.5 0.3
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

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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
1uwc.a
2bjh.a
2hl6.a
[1] 1uwc.a
0
1.1 1.0
[1] 2bjh.a 1.1
0
0.8
[1] 2hl6.a 1.0 0.8
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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