Structure of the quorum quenching lactonase from parageobacillus caldoxylosilyticus bind to substrate C4-ahl

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 29% strand (DSSP).

Ligands and binding sites

• HL4 · N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide · ligand · 2 copies · chains P, D
• CO · Cobalt (II) ion · metal · 2 copies · chains P, D
• FE · Fe (III) ion · metal · 2 copies · chains P, D
• SO4 · Sulfate ion · ion · 5 copies · chains P, D
• EDO · 1,2-ethanediol · additive · 15 copies · chains P, D
• 1PE · Pentaethylene glycol · additive · 4 copies · chains P, D
• PGE · Triethylene glycol · additive · 4 copies · chains P, D
• ACT · Acetate ion · additive · 3 copies · chains P, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• P–D · 749 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

• 6N9Q · Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bind… · the same entry in another collection · chain P against P, 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 A0A023DFE8
• Elsewhere: RCSB PDB 6N9Q · PDBe 6N9Q · UniProt A0A023DFE8