Crystal structure of lpxc from pseudomonas aeruginosa in complex with racemic ligand PT803

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 34% strand (DSSP).

Ligands and binding sites

• EU1 · (2R)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl) methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide · ligand · chains A
• F64 · (2S)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl) methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide · ligand · chains A
• ZN · Zinc ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A

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

Pockets

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

Compared structures

• 6C9C · Crystal structure of LpxC from Pseudomonas aeruginosa in complex with racemic ligand PT803 · the same entry in another collection · chain A against A, TM-score 1.00
• Q02H34 · AlphaFold monomer V2.0 prediction for udp-3-O-acyl-N- acetylglucosamine deacetylase… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q02H34
• Elsewhere: RCSB PDB 6C9C · PDBe 6C9C · UniProt Q02H34