MolNFT v1 · #90084 · protein
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-ih from acinetobacter baumannii
4E8O · AAC(6')-ih protein: “Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-ih from acinetobacter baumannii”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.71). MolNFT v1 #90084 on…
- PDB
- 4E8O
- Type
- protein
- Length
- 295 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AAC(6')-ih protein
- EC
- 2.3.1.-
- UniProt
- Q43899
- Ligands
- CL
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AAC(6')-ih protein (EC 2.3.1.-) | protein | 147 | 35% helix, 33% strand | Q43899 |
| B | AAC(6')-ih protein (EC 2.3.1.-) | protein | 148 | 37% helix, 33% strand | Q43899 |
Ligands and binding sites
- CL · Chloride ion · ion · 7 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 841 | 0.71 | 0.76 | 96 | CL |
| 2 | 50 | 0.26 | 0.74 | 13 | CL |
Interfaces
1 interface between chains.
- A–B · 2160 Ų buried · 53 hydrogen bonds · protein-protein
Compared structures
- 4E8O · Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ih from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q43899 · 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 Q43899
- Elsewhere: RCSB PDB 4E8O · PDBe 4E8O · UniProt Q43899
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