(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, the proton on His57 should migrate to the peptide
nitrogen of Thr253 and the peptide bond between Trp252 and Thr253
should break. Instead, the reaction goes backwards to the
Step_1_2_Transition_state.

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Interesting parts:
His57 Gly193 Asp194 Ser195 Trp252
Thr253 H2O

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