MolNFT v1 · #118513 · protein
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with coenzyme a
5F48: “Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic…”. X-ray diffraction, 3 ligands (COA, MG, CL), 2 pockets (best druggability 0.65). MolNFT v1 #118513 on GenesisL1: 3D…
- PDB
- 5F48
- Type
- protein
- Length
- 301 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside acetyltransferase meta-AAC0020
- UniProt
- A0A059WZ16
- Ligands
- COA, MG, CL
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside acetyltransferase meta-AAC0020 | protein | 150 | 32% helix, 34% strand | A0A059WZ16 |
| B | Aminoglycoside acetyltransferase meta-AAC0020 | protein | 151 | 32% helix, 34% strand | A0A059WZ16 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · chains A
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 | 480 | 0.65 | 0.77 | 38 | COA |
| 2 | 494 | 0.65 | 0.77 | 40 | COA |
Interfaces
1 interface between chains.
- A–B · 3208 Ų buried · 56 hydrogen bonds · protein-protein
Compared structures
- 5F48 · Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured… · 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 A0A059WZ16
- Elsewhere: RCSB PDB 5F48 · PDBe 5F48 · UniProt A0A059WZ16
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