MolNFT v1 · #157052 · protein
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H29A mutant apoenzyme
6MMZ · Aminoglycoside N(3)-acetyltransferase: “Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H29A mutant apoenzyme”. X-ray diffraction, 2 ligands (SO4, CL), 15 pockets (best druggability 0.82).…
- PDB
- 6MMZ
- Type
- protein
- Length
- 1,558 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside N(3)-acetyltransferase
- EC
- 2.3.1.81
- UniProt
- A0A059X981
- Ligands
- SO4, CL
- Pockets
- 15 · best druggability 0.82
Structure
x-ray diffraction · 5 distinct chains · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside N(3)-acetyltransferase (EC 2.3.1.81) | protein | 259 | 32% helix, 23% strand | A0A059X981 |
| B, D | Aminoglycoside N(3)-acetyltransferase (EC 2.3.1.81) | protein | 260 | 32% helix, 22% strand | A0A059X981 |
| C | Aminoglycoside N(3)-acetyltransferase (EC 2.3.1.81) | protein | 260 | 33% helix, 23% strand | A0A059X981 |
| E | Aminoglycoside N(3)-acetyltransferase (EC 2.3.1.81) | protein | 261 | 31% helix, 23% strand | A0A059X981 |
| F | Aminoglycoside N(3)-acetyltransferase (EC 2.3.1.81) | protein | 258 | 32% helix, 23% strand | A0A059X981 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 20 copies · chains A, B, C, D, E, F
- CL · Chloride ion · ion · 4 copies · chains C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1115 | 0.82 | 0.83 | 108 | SO4, CL |
| 2 | 661 | 0.78 | 0.83 | 78 | empty |
| 3 | 803 | 0.77 | 0.81 | 94 | empty |
| 4 | 309 | 0.65 | 0.81 | 47 | empty |
| 5 | 338 | 0.65 | 0.80 | 45 | empty |
Interfaces
7 interfaces between chains.
- E–F · 1043 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 987 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 957 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 557 Ų buried · 4 hydrogen bonds · protein-protein
- B–F · 436 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 6MMZ · Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A059X981
- Elsewhere: RCSB PDB 6MMZ · PDBe 6MMZ · UniProt A0A059X981
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