A Hybrid QM/MM Simulation Study of Intramolecular Proton Transfer in the Pyridoxal 5′-Phosphate in the Active Site of Transaminase: Influence of Active Site Interaction on Proton Transfer

Author:

Dutta Banik Sindrila1,Chandra Amalendu1

Affiliation:

1. Department of Chemistry, Indian Institute of Technology, Kanpur, India 208016

Funder

Indian Institute of Technology Kanpur

Department of Science and Technology, Ministry of Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Reference80 articles.

1. Snell, E. E.; Di Mari, S. J.The Enzymes: Kinetics and Mechanism,3rd ed.Boyer, P. D., Ed.Academic Press,New York, 1970; Vol.2, pp335–362.

2. Christen, P.; Metzler, D. E.Transaminases;1st ed.Wiley:New York, 1985; pp37–101.

3. Multiple Hydrogen Kinetic Isotope Effects for Enzymes Catalyzing Exchange with Solvent:  Application to Alanine Racemase

4. Crystal structure of true enzymic reaction intermediates: Aspartate and glutamate ketimines in aspartate aminotransferase

5. Structure, evolution and action of vitamin B6-dependent enzymes

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