Lpxc from A.AAEOLICUS in complex with 4-[[4-[2-[4-(morpholinomethyl) PHENYL]ETHYNYL]PHENOXY]METHYL]TETRAHYDROPYRAN-4-carbohydroxamic acid (compound 9)

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 35% strand (DSSP).

Ligands and binding sites

• 3BX · N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide · ligand · chains A
• ZN · Zinc ion · metal · 2 copies · chains A
• CL · Chloride ion · ion · chains A
• IMD · Imidazole · 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, 1 with a druggability of 0.5 or more.

Compared structures

• 4U3D · LpxC from A.Aaeolicus in complex with 4-[[4-[2-[4-(morpholinomethyl)phenyl]ethynyl]phenoxy… · the same entry in another collection · chain A against A, TM-score 1.00
• O67648 · 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 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 O67648
• Elsewhere: RCSB PDB 4U3D · PDBe 4U3D · UniProt O67648