MolNFT v1 · #143519 · protein
Crystal structure oxa-24 beta-lactamase complexed with wck 4234 by co- crystallization
6B22: “Crystal structure oxa-24 beta-lactamase complexed with wck 4234 by co- crystallization”. X-ray diffraction, 2 ligands (C8Y, CL), 1 pocket (best druggability 0.49). MolNFT v1 #143519 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6B22
- Type
- protein
- Length
- 244 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- UniProt
- Q8RLA6
- Ligands
- C8Y, CL
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase | protein | 244 | 42% helix, 21% strand | Q8RLA6 |
Ligands and binding sites
- C8Y · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile · ligand · chains A
- CL · Chloride ion · ion · 2 copies · 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 | 218 | 0.49 | 0.75 | 30 | C8Y |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6B22 · Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization · 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 6B22 · PDBe 6B22 · UniProt Q8RLA6
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