Structure and Dynamics of the Isozymes II and IX of Human Carbonic Anhydrase
Divya Rai, Satyajit Khatua, Srabani Taraphder
Abstract
with faster conformational transitions predicted at constant pH condition. The estimated rate constants and free energies are expected to validate if the fluctuation of the His-64 side-chain in HCA IX may have a significance similar to that known in the multistep catalytic cycle of HCA II.
Topics & Concepts
ChemistryMolecular dynamicsIsozymeCarbonic anhydraseActive siteProtonIntramolecular forceCrystallographyStereochemistryEnzymeComputational chemistryBiochemistryPhysicsQuantum mechanicsEnzyme function and inhibitionChemical Reactions and MechanismsChemical Reaction Mechanisms