Figure 1: Structure of the human XRCC4/Lig4 complex and analysis of persistent contacts by Molecular Dynamics Simulation.
From: Structure-Based Virtual Ligand Screening on the XRCC4/DNA Ligase IV Interface
(A) Crystal structure of the XRCC4/C-ter Lig4 complex (PDB entry 3II6) : the clamp domain (helix1-loop-helix2) is in red. (B) Distribution within the Lig4 C-ter domain of persistent contacts with XRCC4. Dashed and full boxes correspond to residues contacting XRCC4 A and B chains, respectively. Green, yellow and red colors highlight very persistent (contact >90%), persistent (80%< contact <90%) and poorly persistent (contact <80%) residues, respectively. (C) Cartoon and surface representation of residues within the Lig4 clamp domain according to persistent contacts with XRCC4. The colors correspond to residues as in B.
