Theoretical Study of Intermolecular Interactions between Critical Residues of Membrane Protein MraY<sub>AA</sub>and Promising Antibiotic Muraymycin D2
Saeid Malek Zadeh, Elahe K. Astani, Zhe‐Chong Wang, Kamal Adhikari, Rajesh Rattinam, Tsung‐Lin Li
Abstract
active site. It was also found that water molecules inside the active site have substantial effects on its structure stability through hydrogen-bonding interactions with MD2 and the interacting residues.
Topics & Concepts
Hydrogen bondChemistryActive siteNon-covalent interactionsIntermolecular forceCrystallographyLigand (biochemistry)Atoms in moleculesNatural bond orbitalvan der Waals forceMoleculeComputational chemistryDensity functional theoryOrganic chemistryBiochemistryEnzymeReceptorRNA and protein synthesis mechanismsCancer therapeutics and mechanismsAntibiotic Resistance in Bacteria