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

Transition state between Steps 4 and 5 of Chymotrypsin Mechanism

  (PDB file) (ARC file)



In this reaction, a water molecule adds to the ester carbon of
Trp252. A proton migrates to Thr253 to form an ammine ion.

The transition state is almost certainly wrong, and by inference
the reaction Step 4 → Step 5 is also wrong.

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Interesting parts:
His57 Gly193 Asp194 Ser195 Trp252
Thr253 H2O

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