Tertiary templates

Pander J W and F M Richards 1987. Tertiary Templates for Proteins. Use of Packing Criteria in Enumeration of Allowed Sequences for Different Structural Classes. Journal of Molecular Bio 193 775-791. 

JW Ponder, FM Richards. Tertiary templates for proteins Use of packing criteria m the enumeration of allowed sequences for different structural classes. J Mol Biol 193 775-792, 1987. 

J. Overingon, D. Donnelly, M. S- Johnson, A. Sali. and T. L, Blundell. Environment-specific amino acid substitution tables tertiary templates and prediction of protein folds. Protein Set. 7 216-226 (1992). 

Present practical methods to derive a three-dimensional model of a protein from Its sequence, however, use a tertiary template such as crystal structures of other proteins closely related by sequence to the protein to be modeled Q, 2 ). When the crystallographic data are not available for related proteins, predictions have so far been too low In reliability to evaluate the energy of Interactions between the protein and a drug molecule, and to optimize the chemical structure of a drug to fit into the active site In a satisfactory way. Even In the prediction of secondary structures, the match between the observed and the estimated Is as low as 50-60% at most O, ). The low success score of structure prediction limits the availability of sequence Information for drug design. 

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