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ACPS_MYCTU_1_130

Holo-[acyl-carrier-protein] synthase [P-Pant transferase superfamily. AcpS family]

Composition of the binding site

Protein chains homodimer
A1 (ACPS_MYCTU):9, 58, 629, 58, 62
A2 (ACPS_MYCTU):115, 116115, 116

Full PDB list

3h7q, 3hqj, 3ne1, 3ne3, 4hc6 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 A2
D
9
E
5
8
K
6
2
T
1
1
5
H
1
1
6
[1]3h7q.a bcn11 . . . . .
[1]3hqj.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

[download in TSV format]
   
PDB.ch
A1 A2
D
9
E
5
8
K
6
2
T
1
1
5
H
1
1
6
[1]3h7q.a . . . . .
[1]3hqj.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
3h7q.a:bcn
3hqj.a is apo
[1] 3h7q.a
0.1
-
[1] 3hqj.a 0.1
-
[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
3h7q.a
3hqj.a
[1] 3h7q.a
0
0
[1] 3hqj.a 0
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.2 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
3h7q.a
3hqj.a
[1] 3h7q.a
0
0.3
[1] 3hqj.a 0.3
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
3h7q.a
3hqj.a
[1] 3h7q.a
0
0.4
[1] 3hqj.a 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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