Fig. 3: Comparison of the effect of p.[Leu119Pro;Leu488Pro] on the interaction affinity of LRRK2-RAB8A or LRRK2-RAB10.
From: A new LRRK2 variant in a family with Parkinson’s disease affects binding to RAB8A
a Structural representation of the top energetic pose of the complex between LRRK2 (grey) and RAB8A (cyan), close to LRRK2 residues 119 (TOP) and 301-top pyDock (BOTTOM). The red dots highlight p.Leu119Pro and p.Leu488Pro LRRK2 SNVs. b Percentage of poses obtained from pyDock regarding RAB8A (left) and RAB10 (right) close to LRRK2 residues 119 and 301, for LRRK2WT (orange) and LRRK2Leu119Pro;Leu488Pro (blue). c Binding energy profiles obtained from PELE for poses regarding RAB8A (left) and RAB10 (right) close to LRRK2 residues 119 and 301 for LRRK2WT (orange) and LRRK2Leu119Pro;Leu488Pro (blue). d Steering MD results representing the pulling force for the LRRK2-RAB complex regarding RAB8A (left) and RAB10 (right) close to LRRK2 residues 119 and 301, for LRRK2WT (orange) and LRRK2Leu119Pro;Leu488Pro (blue).
