About: RMSD of protein and ligand. RMSD diagram of 46604 and MurD enzyme complex backbone (magenta) and ligand 46604 backbone (blue). RMSD diagram of 46608 and MurD enzyme complex backbone (magenta) and ligand 46608 backbone (blue)

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Identification of Potential Inhibitors of MurD Enzyme of Staphylococcus aureus from a Marine Natural Product Library 2

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Details.

Scientist
Xiaoqi Zheng,1 Tongyu Zheng,1 Yinglin Liao,1 and Lianxiang Luo2
Protein
MurD ligase from Streptococcus agalactiae
Ligand
46604 and 46608
Simulation Duration
InChIKey
QCLLVQLUBRZPBK-UHFFFAOYSA-O
SMILES
CC1=CC(=C(C=C1)OC(=O)NC)C[N+](C)(C)C
Molecular Formula
C13H21N2O2+
Protein Details
Mur ligase are a set of four Mur ubiquitin ligase enzymes: MurC, MurD, MurE, MurF which catalyze the addition of a short polypeptide to UDP-D-acetylmuramic acid in the process of bacterial cell wall buildup from peptidoglycans
Ligand Details
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