MolNFT v2 · #71399 · protein
OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min
3MBZ · Betalactamase OXA24: “OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min”. X-ray diffraction at 2.6, 2 ligands (MXC, SO4), 1 pocket (best druggability 0.39). MolNFT v2 #71399 on GenesisL1: 3D structure…
- PDB
- 3MBZ
- Type
- protein
- Length
- 244 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.6
- Source
- Acinetobacter baumannii
- Molecule
- Betalactamase OXA24
- EC
- 3.5.2.6
- UniProt
- Q8RLA6
- Ligands
- MXC, SO4
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · resolution 2.6 · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Betalactamase OXA24 (EC 3.5.2.6) | protein | 244 | 41% helix, 21% strand | Q8RLA6 |
Ligands and binding sites
- MXC · (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 123 | 0.39 | 0.74 | 22 | MXC |
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, carboxylation).
Compared structures
- 3MBZ · Oxa-24 beta-lactamase complex soaked with 10MM SA4-17 inhibitor for 15MIN · 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 Q8RLA6
- Elsewhere: RCSB PDB 3MBZ · PDBe 3MBZ · UniProt Q8RLA6
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