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BLAN_ENTCL_28_292

Imipenem-hydrolyzing beta-lactamase [Class-A beta-lactamase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BLAN_ENTCL):R: Substrate binding (237, 238)
71, 74, 106, 131, 133, 172, 218, 239
71, 74, 106, 131, 133, 172, 218, 237:239

Full PDB list

1bue, 1bul

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
S
7
1
K
7
4
H
1
0
6
S
1
3
1
N
1
3
3
N
1
7
2
T
2
1
8
T
2
3
7
G
2
3
8
S
2
3
9
[1]1bue.a none . . . . . . . . . .
[1]1bul.a ap317 * . . . . . . . . .

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
S
7
1
K
7
4
H
1
0
6
S
1
3
1
N
1
3
3
N
1
7
2
T
2
1
8
T
2
3
7
G
2
3
8
S
2
3
9
[1]1bue.a . . . . . . . . . .
[1]1bul.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
1bue.a is apo
1bul.a:ap3
[1] 1bue.a
-
0.5
[1] 1bul.a -
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
1bue.a
1bul.a
[1] 1bue.a
0
.03
[1] 1bul.a .03
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
1bue.a
1bul.a
[1] 1bue.a
0
0.1
[1] 1bul.a 0.1
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

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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
1bue.a
1bul.a
[1] 1bue.a
0
0.2
[1] 1bul.a 0.2
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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