Haemophilus influenzae mura in complex with udp-N-acetylmuramic acid and covalent adduct of pep with CYS117

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 27% strand (DSSP).

Ligands and binding sites

• EPZ · (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy) phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid · ligand · chains A
• SO4 · Sulfate ion · ion · 5 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

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

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

• 3SWE · Haemophilus influenzae MurA in complex with UDP-N-acetylmuramic acid and covalent adduct… · the same entry in another collection · chain A against A, TM-score 1.00
• P45025 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine 1-carboxyvinyltransferase… · 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 P45025
• Elsewhere: RCSB PDB 3SWE · PDBe 3SWE · UniProt P45025