MolNFT v1 · #157677 · protein
Oxa-23 mutant F110A/M221A neutral pH form imipenem complex
6N6X · Beta-lactamase OXA23: “Oxa-23 mutant F110A/M221A neutral pH form imipenem complex”. X-ray diffraction, 2 ligands (ID1, SO4), 1 pocket (best druggability 0.32). MolNFT v1 #157677 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6N6X
- Type
- protein
- Length
- 239 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase OXA23
- EC
- 3.5.2.6
- UniProt
- Q9L4P2
- Ligands
- ID1, SO4
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase OXA23 (EC 3.5.2.6) | protein | 239 | 40% helix, 21% strand | Q9L4P2 |
Ligands and binding sites
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 | 80 | 0.32 | 0.74 | 21 | ID1 |
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, carboxylation).
Compared structures
- 6N6X · OXA-23 mutant F110A/M221A neutral pH form imipenem complex · 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 Q9L4P2
- Elsewhere: RCSB PDB 6N6X · PDBe 6N6X · UniProt Q9L4P2
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