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CAT_ECOLX_1_219

Chloramphenicol acetyltransferase [Chloramphenicol acetyltransferase family]

Composition of the binding site

Protein chains homodimer
A1 (CAT_ECOLX):93, 102, 104, 133, 134, 138, 144, 146, 156, 158, 160, 162, 166, 170, 17293, 102, 104, 133, 134, 138, 144, 146, 156, 158, 160, 162, 166, 170, 172
A2 (CAT_ECOLX):24, 25, 28, 29, 31, 19324, 25, 28, 29, 31, 193

Full PDB list

1noc, 1pd5, 1q23, 3u9b, 3u9f (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
T
9
3
F
1
0
2
S
1
0
4
Y
1
3
3
F
1
3
4
F
1
4
4
S
1
4
6
F
1
5
6
L
1
5
8
V
1
6
0
N
1
6
2
F
1
6
6
V
1
7
0
A
2
4
F
2
5
V
2
8
A
2
9
C
3
1
H
1
9
3
[1]1pd5.b none . . . . . . . . . . . . . . . . . . .
[1]1q23.c fua37 . . . . . . . . . . . . . . . . . . .
[1]3u9f.c clm20 . . . . . . . . . . . . . . . . . . .

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

[download in TSV format]
   
PDB.ch
A1 A2
T
9
3
F
1
0
2
S
1
0
4
Y
1
3
3
F
1
3
4
F
1
3
8
F
1
4
4
S
1
4
6
F
1
5
6
L
1
5
8
V
1
6
0
N
1
6
2
F
1
6
6
V
1
7
0
T
1
7
2
A
2
4
F
2
5
V
2
8
A
2
9
C
3
1
H
1
9
3
[1]1pd5.b . . . . . . . . . . . . . . . . . . . . .
[1]1q23.c . . . . . . . . . . . . . . . . . . . . .
[1]3u9f.c . . . . . . . . . . . . . . . . . . . . .

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
1pd5.b is apo
1q23.c:fua
3u9f.c:clm
[1] 1pd5.b
-
0.2 0.2
[1] 1q23.c -
0.1
0.3
[1] 3u9f.c - 0.6
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
1pd5.b
1q23.c
3u9f.c
[1] 1pd5.b
0
.02 .05
[1] 1q23.c .02
0
.05
[1] 3u9f.c .05 .05
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
1pd5.b
1q23.c
3u9f.c
[1] 1pd5.b
0
0.4 0.6
[1] 1q23.c 0.4
0
0.5
[1] 3u9f.c 0.6 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
1pd5.b
1q23.c
3u9f.c
[1] 1pd5.b
0
0.8 1.3
[1] 1q23.c 0.8
0
1.2
[1] 3u9f.c 1.3 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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