MolNFT v1 · #90854 · protein
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-ig from acinetobacter haemolyticus in complex with tobramycin
4EVY · Aminoglycoside N(6')-acetyltransferase type 1: “Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-ig from acinetobacter…”. X-ray diffraction, 3 ligands (TOY, K, CL), 1 pocket (best druggability 0.74).…
- PDB
- 4EVY
- Type
- protein
- Length
- 292 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside N(6')-acetyltransferase type 1
- EC
- 2.3.1.82
- UniProt
- Q44057
- Ligands
- TOY, K, CL
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside N(6')-acetyltransferase type 1 (EC 2.3.1.82) | protein | 147 | 36% helix, 35% strand | Q44057 |
| B | Aminoglycoside N(6')-acetyltransferase type 1 (EC 2.3.1.82) | protein | 145 | 37% helix, 35% strand | Q44057 |
Ligands and binding sites
- TOY · Tobramycin · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1080 | 0.74 | 0.77 | 107 | TOY, CL |
Interfaces
1 interface between chains.
- A–B · 2152 Ų buried · 60 hydrogen bonds · protein-protein
Compared structures
- 4EVY · Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q44057 · AlphaFold monomer V2.0 prediction for aminoglycoside N(6')-acetyltransferase type 1… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q44057
- Elsewhere: RCSB PDB 4EVY · PDBe 4EVY · UniProt Q44057
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