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BLO1_ECOLX_26_276

Beta-lactamase OXA-1 [Class-D beta-lactamase family]

Composition of the binding site

Protein chains monomer
A1 (BLO1_ECOLX):70, 71, 74, 102, 105, 118, 120, 164, 215:219, 257, 260, 26170, 71, 74, 102, 105, 118, 120, 164, 215:219, 257, 260, 261

Full PDB list

1m6k, 3isg, 4mll

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
D
7
0
S
7
1
K
7
4
M
1
0
2
W
1
0
5
S
1
1
8
V
1
2
0
L
1
6
4
K
2
1
5
T
2
1
6
G
2
1
7
A
2
1
8
G
2
1
9
L
2
5
7
S
2
6
0
I
2
6
1
[1]1m6k.b none . . * . . . . . . . . . . . . .
[1]3isg.a drw27 . * * . . . . . . . . . . . . .
[1]4mll.d 1s628 . * D . . . . . . . . . . . . .

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
D
7
0
S
7
1
K
7
4
M
1
0
2
W
1
0
5
S
1
1
8
V
1
2
0
L
1
6
4
K
2
1
5
T
2
1
6
G
2
1
7
A
2
1
8
G
2
1
9
L
2
5
7
S
2
6
0
I
2
6
1
[1]1m6k.b . * * . . . . . . . . . . . . .
[1]3isg.a . * * . . . . . . . . . . . . .
[1]4mll.d . * D . . . . . . . . . . . . .

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
1m6k.b is apo
3isg.a:drw
4mll.d:1s6
[1] 1m6k.b
-
1.2 1.0
[1] 3isg.a -
0.7
1.1
[1] 4mll.d - 0.7
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
1m6k.b
3isg.a
4mll.d
[1] 1m6k.b
0
.04 .04
[1] 3isg.a .04
0
.04
[1] 4mll.d .04 .04
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
1m6k.b
3isg.a
4mll.d
[1] 1m6k.b
0
0.4 0.3
[1] 3isg.a 0.4
0
0.3
[1] 4mll.d 0.3 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

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
1m6k.b
3isg.a
4mll.d
[1] 1m6k.b
0
0.8 0.9
[1] 3isg.a 0.8
0
0.5
[1] 4mll.d 0.9 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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