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Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose
Analyse Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5F47
- Type
- protein
- Length
- 303 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.497
- Source
- uncultured bacterium
- Molecule
- aminoglycoside acetyltransferase meta-AAC0020
- UniProt
- A0A059WZ16
- Ligands
- GLC, CA, CL
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · resolution 1.497 · 2 distinct chains · 32% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | aminoglycoside acetyltransferase meta-AAC0020 | protein | 151 | 32% helix, 34% strand | A0A059WZ16 |
| B | aminoglycoside acetyltransferase meta-AAC0020 | protein | 152 | 32% helix, 34% strand | A0A059WZ16 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 8 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 432 | 0.67 | 0.79 | 39 | CL |
| 2 | 481 | 0.63 | 0.76 | 38 | GLC, CL, CA |
| 3 | 53 | 0.32 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3115 Ų buried · 53 hydrogen bonds · protein-protein
Compared structures
- 5F47 · 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 5F47 · PDBe 5F47 · UniProt A0A059WZ16
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