E. cloacae mura in complex with enolpyruvyl-udp-N-acetylgalactosamine and covalent adduct of pep with CYS115

Structure

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

Ligands and binding sites

• MOE · Methoxy-ethoxyl · ligand · 2 copies · chains A
• UD2 · Uridine-diphosphate-N-acetylgalactosamine · ligand · chains A
• UPN · 2-{[(2R,3R,4R,5R,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}prop-2-enoic acid · ligand · chains A
• MG · Magnesium ion · metal · chains A
• PG0 · 2-(2-methoxyethoxy)ethanol · additive · 3 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: 2 modified (nonstandard).

Compared structures

• 3SWI · E. Cloacae MurA in complex with Enolpyruvyl-UDP-N-acetylgalactosamine and covalent adduct… · the same entry in another collection · chain A against A, TM-score 1.00
• P33038 · 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 P33038
• Elsewhere: RCSB PDB 3SWI · PDBe 3SWI · UniProt P33038