Figure 6

Comparison between representative conformations of CPT-11/HLA-G*01*01 (top panels) and CPT-11/HLA-G*01*5 N (bottom panels): (a) schematic diagram of the interaction between CPT-11 and HLA-G*01:01 and surface electrostatic (Coulomb) potential of (b) CPT-11, (c) HLA-G*01:01, and (d) their complementarity; (e) schematic diagram of the interaction between CPT-11 and HLA-G*01:05 N and surface electrostatic (Coulomb) potential (kcal·mol−1·e−1) of (f) CPT-11, (g) HLA-G*01:05 N, and (h) their complementarity. In (a,e) protein residues interacting with the compounds by Van der Waals interactions are highlighted in red, while hydrogen bonds are indicated by green dotted lines. Interacting residues found also for the other polymorphs are circled.