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

Transition state between Steps 2 and 5 of Chymotrypsin Mechanism

  (PDB file) (ARC file)

In this reaction, the proton on His57 should migrate to the peptide nitrogen of Thr253 and the peptide bond between Trp252 and Thr253 should break. Instead, as with the Step 2 - Step 4 reaction, the lowest barrier involves going backwards to the Step_1_2_Transition_state. Toggle display all Toggle center picture Fit to screen Interesting parts: His57 Gly193 Asp194 Ser195 Trp252 Thr253 H2O Toggle spin Toggle stereo Console   Step 1 Step 2 Step 3 Step 4 Step 5 Step 6 Step 1           Step 2         Step 3       Step 4     Step 5   Step 6

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