The excision mechanism in reverse transcriptase: pyrophosphate leaving and fingers opening are uncoupled events with the analogues AZT and d4T

Molecular dynamics simulations are used for examining the complexes of HIV-1 reverse transcriptase (RT) with the substrate and the antiretrovirals AZT and d4t. Results suggest that the finger residues K65 and R72 form hydrogen bonds with the substituted nucleotides.