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

Transition state between Steps 3 and 5 of Chymotrypsin Mechanism

  (PDB file) (ARC file)



The stationary point given here is not a transition state - it's a
ground state geometry, but for a nonsense chemical system.

The heat of formation is so high that it's obvious that this
system is unrealistic.

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Interesting parts:
His57 Gly193 Asp194 Ser195 Trp252
Thr253 H2O

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