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CACP_HUMAN_30_625

Carnitine O-acetyltransferase [Carnitine/choline acetyltransferase family]

Composition of the binding site

Protein chains monomer
A1 (CACP_HUMAN):102, 343, 347, 452, 454, 465, 552, 553, 566, 569102, 343, 347, 452, 454, 465, 552, 553, 566, 569

Full PDB list

1nm8, 1s5o

Pocket contact map

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PDB.ch
   
ligand
A1
W
1
0
2
H
3
4
3
E
3
4
7
Y
4
5
2
S
4
5
4
T
4
6
5
S
5
5
2
T
5
5
3
F
5
6
6
V
5
6
9
[1]1nm8.a none . . . . . . . . . .
[1]1s5o.a 15211 . . . . . . . . . .

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
W
1
0
2
H
3
4
3
E
3
4
7
Y
4
5
2
S
4
5
4
T
4
6
5
S
5
5
2
T
5
5
3
F
5
6
6
V
5
6
9
[1]1nm8.a . . . . . . . . . .
[1]1s5o.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
1nm8.a is apo
1s5o.a:152
[1] 1nm8.a
-
0.4
[1] 1s5o.a -
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
1nm8.a
1s5o.a
[1] 1nm8.a
0
.04
[1] 1s5o.a .04
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
1nm8.a
1s5o.a
[1] 1nm8.a
0
0.3
[1] 1s5o.a 0.3
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
1nm8.a
1s5o.a
[1] 1nm8.a
0
0.5
[1] 1s5o.a 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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