Insights from simulations into the mechanism of human topoisomerase I: Explanation for a seeming controversy in experiments
We study how different mutations affect DNA rotations within clamped enzyme. Simulations are based on the prevailing mechanism [Science 279 (1998) 1534]. ?5 melts within proximally clamped, but not within the distally clamped one. Type of mutations affect DNA rotations in both directions. Observations reconcile two experimental findings that are seemingly contradictory.
human topoisomerase i mutation dna supercoiling molecular dynamics force-field