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. 2023 Jun 26;299(8):104968. doi: 10.1016/j.jbc.2023.104968

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© 2023 The Authors

This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

PMC Copyright notice

The hydrophobic contacts between αF and L46 are crucial for the closed conformation and DPC binding.A, time variations of SMD force and the inter-residue distances d_46-170, d_46-167, and d_63-191 in WT rYkt6 system. Three structures representing the beginning point, turning point, and end point along the SMD trajectory are shown (green for the SNARE core, blue for the longin domain). The fixed (blue) and pulling (green) centers are shown as spheres, and connected with a yellow dashed line. B, statistics of the times of the critical turning points in WT rYkt6, WT yYkt6, and yYkt6-T46L/Q57A mutant systems. C, ITC measurements of binding between DPC and yYkt6ΔC-T46L/Q57A/L169A or yYkt6ΔC-T46L/Q57A/L172A. DPC, dodecylphosphocholine; ITC, isothermal titration calorimetry; SMD, steered molecular dynamics.