Figure 6
The catalytic center of aspartic proteinase with bound inhibitor 0QS in three alternative binding modes of Asp215, 1 (a), 2 (b) and 3 (c), after QM refinement of PDB entry 2jjj
. The difference density around the side chain of the key catalytic residue Asp215 is contoured at the 3.5σ level. Only selected atoms of 0QS are shown for clarity. |