Research workbench
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-ig from acinetobacter haemolyticus, apo
Analyse Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F0Y
- Type
- protein
- Length
- 290 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
- MG, CL
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aminoglycoside N(6')-acetyltransferase type 1 (EC 2.3.1.82) | protein | 145 | 33% helix, 35% strand | Q44057 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 546 | 0.65 | 0.77 | 62 | MG, CL, GOL |
| 2 | 436 | 0.60 | 0.75 | 54 | MG, GOL |
Interfaces
1 interface between chains.
- A–B · 2107 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 4F0Y · Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-IG from… · the same entry in another collection · chain B against B, 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 0.99
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 4F0Y · PDBe 4F0Y · UniProt Q44057
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