Crystal structure of mura from clostridium difficile in the presence of udp-N-acetyl-alpha-D-muramic acid with modified CYS116 (S-[(1S)-1- carboxy-1-(PHOSPHONOOXY)ETHYL]-L-cysteine)

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 28% 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
• EDO · 1,2-ethanediol · additive · 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

• 6Q03 · Crystal structure of MurA from Clostridium difficile in the presence of… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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• Every structure of UniProt Q18CL1
• Elsewhere: RCSB PDB 6Q03 · PDBe 6Q03 · UniProt Q18CL1