Structure of the haemophilus influenzae lpxh-lipid X complex

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Ligands and binding sites

• LP5 · (R)-((2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-5-((R)-3-hydroxytetradecanamido)-6-(phosphonooxy) tetrahydro-2H-pyran-4-yl) 3-hydroxytetradecanoate · ligand · chains A
• MN · Manganese (II) ion · metal · 2 copies · chains A
• ACT · Acetate ion · additive · 2 copies · chains A
• GOL · Glycerol · additive · 2 copies · 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.

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

• 5K8K · Structure of the Haemophilus influenzae LpxH-lipid X complex · the same entry in another collection · chain A against A, TM-score 1.00
• P44046 · AlphaFold monomer V2.0 prediction for udp-2,3-diacylglucosamine hydrolase (P44046) · 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 P44046
• Elsewhere: RCSB PDB 5K8K · PDBe 5K8K · UniProt P44046