MD trajectory data associated to the manuscript "A programmable lipid-triggered allosteric site modulates LC3 LIR receptor binding activity"

This repository contains coordinate and trajectory files generated for the manuscript titled "A programmable lipid-triggered allosteric site modulates LC3 LIR receptor binding activity" LC3_trajectory_data Three states of LC3B (Cytosolic/LC3M-, Membrane bound apo/LC3M+R-, membrane bound with p62-LIR/LC3M+R+) [Three replicates of 1 microsecond dt1000 trajectories] Allosteric site (AS) mutant candidates in membrane-bound state [1 microsecond dt1000 trajectories] A75K S90A N76A_F79A M60A L81M A75D S61K_S90D A75D_N76E_F79D I64F M60K_M88D I64T_L81M Selected AS mutants in membrane-bound state [1 microsecond dt1000 trajectories] AS_MUTANT1: I64K_V89D_V91F AS_MUTANT2: I64D_V89P_V91D additional_trajectories LC3B with NBR1 and OPTN LIRs on the membrane [1 microsecond dt1000 trajectories] Preprint link: https://www.biorxiv.org/content/10.64898/2026.03.10.710726v1