MolNFT v1 · #97008 · protein
X-ray crystal structure of oxa-23 A220 duplication clinical variant
4K0W · Beta-lactamase: “X-ray crystal structure of oxa-23 A220 duplication clinical variant”. X-ray diffraction, 2 ligands (BCT, NA), 1 pocket (best druggability 0.35). MolNFT v1 #97008 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4K0W
- Type
- protein
- Length
- 234 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- Q9L4P2
- Ligands
- BCT, NA
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 234 | 39% helix, 23% strand | Q9L4P2 |
Ligands and binding sites
- BCT · Bicarbonate ion · ligand · 4 copies · chains A
- NA · Sodium ion · metal · 5 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- CIT · Citric acid · additive · 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 | 69 | 0.35 | 0.77 | 21 | CIT, NA |
Compared structures
- 4K0W · X-ray crystal structure of OXA-23 A220 duplication clinical variant · 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 4K0W · PDBe 4K0W · UniProt Q9L4P2
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