On the controversy of metal ion composition on amine oxygenase (AurF): a computational investigation.
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.
Department of Chemistry, Indian Institute of Technology-Bombay, Powai, Mumbai. prabha.jaypal@gmail.com
Prabha
P
Jayapal
Gopalan
G
Rajaraman
D000588:Amines / Q000378:metabolism; D020134:Catalytic Domain; D003198:Computer Simulation; D005290:Ferric Compounds / Q000737:chemistry; D018698:Glutamic Acid / Q000737:chemistry; D008667:Metalloproteins / Q000737:chemistry*; D008958:Models, Molecular; D010105:Oxygenases / Q000737:chemistry*; D011789:Quantum Theory; D013056:Spectrophotometry, Ultraviolet
D000588:Amines; D005290:Ferric Compounds; D008667:Metalloproteins; D018698:Glutamic Acid; D010105:Oxygenases