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Katona G., Wilmouth R.C., Wright P.A., Berglund G.I., Hajdu J., Neutze R., Schofield C.J. X-ray structure of a serine protease acyl-enzyme complex at 0.95-Å resolution. J Biol Chem. 277:2002;21962-21970 The importance of accuracy in coordinates is addressed in this paper. The atomic resolution structure of an acyl enzyme complex of pancreatic porcine elastase shows that the ester bond is not distorted away from planarity. This suggests that geometric strain does not play a role in catalysis, as previously proposed by lower resolution structures.
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A good example of the interpretation of sidechain anisotropy to understand the importance of catalytic residues in the reaction mechanism.
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Kursula I., Wierenga R.K. Crystal structure of triosephosphate isomerase complexed with 2-phosphoglycolate at 0.83-Å resolution. J Biol Chem. 278:2003;9544-9551 A good example of the interpretation of sidechain anisotropy to understand the importance of catalytic residues in the reaction mechanism.
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A clear example of the use of atomic resolution data to directly fit the substrate electron density and to identify an unusual strained boat conformation.
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