DOI: 10.1039/d6ra05904j ISSN: 2046-2069

Computational insights into the electrostatic origins of mechanistic selectivity: human topoisomerase IIα enforces ATP hydrolysis via substrate-assisted catalysis

Aleš Novotný, Andrzej J. Kałka, Andrej Perdih, Jernej Stare

Enzyme electrostatics drives mechanistic selectivity in human topoisomerase IIα, strongly catalyzing substrate-assisted ATP hydrolysis while electrostatically penalizing the general base mechanism.

More from our Archive