(Modeling proteins) (Chymotrypsin Mechanism: Step 1, Step 2, Step 3, Step 4, Step 5, Step 6)

Transition state between Steps 2 and 4 of Chymotrypsin Mechanism

  (PDB file) (ARC file)

In this reaction, water adds across the peptide bond between Trp252 and Thr253 and across the ester bond between Thr252 and Ser195. This is obviously a nonsense reaction - it would have to be a multi- step process - but it illustrates the level of complexity of reaction that can be modeled. Toggle display all Toggle center picture Fit to screen Interesting parts: His57 Gly193 Asp194 Ser195 Trp252 Thr253 H2O Toggle spin Toggle stereo