On the controversy of metal ion composition on amine oxygenase (AurF): a computational investigation
Prabha Jayapal1, Gopalan Rajaraman
1Department of Chemistry, Indian Institute of Technology-Bombay, Powai, Mumbai. prabha.jaypal@gmail.com
Abstract:
An energetics-spectroscopic approach based on DFT method reveals that the active site structure of AurF has {Fe(III)(2)O} central core with one protonated terminal glutamate.
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