MolNFT v1 · #64159 · protein
Oxa-24 beta-lactamase complex with SA4-44 inhibitor
3FV7 · Beta-lactamase oxa-24: “Oxa-24 beta-lactamase complex with SA4-44 inhibitor”. X-ray diffraction, 1 ligand (MXS), 1 pocket (best druggability 0.42). MolNFT v1 #64159 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3FV7
- Type
- protein
- Length
- 244 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase oxa-24
- EC
- 3.5.2.6
- UniProt
- Q8RLA6
- Ligands
- MXS
- Pockets
- 1 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase oxa-24 (EC 3.5.2.6) | protein | 244 | 43% helix, 21% strand | Q8RLA6 |
Ligands and binding sites
- MXS · (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid · ligand · 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 | 141 | 0.42 | 0.75 | 24 | MXS |
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, carboxylation).
Compared structures
- 3FV7 · OXA-24 beta-lactamase complex with SA4-44 inhibitor · 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 3FV7 · PDBe 3FV7 · UniProt Q8RLA6
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