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Prediction of enzyme function based on 3D templates of evolutionarily important amino acids |
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| Authors: | David M Kristensen R Matthew Ward Andreas Martin Lisewski Serkan Erdin Brian Y Chen Viacheslav Y Fofanov Marek Kimmel Lydia E Kavraki Olivier Lichtarge |
| Institution: | (1) Department of Molecular and Human Genetics, Biophysics, Baylor College of Medicine, Houston, 77030, TX, USA;(2) Graduate Program in Structural and Computational Biology and Molecular Biophysics, Baylor College of Medicine, Houston, TX 77030, USA;(3) Department of Computer Science, Rice University, Houston, Texas 77030, USA;(4) Department of Statistics, Rice University, Houston, Texas 77030, USA;(5) Department of Bioengineering, Rice University, Houston, Texas 77030, USA |
| Abstract: | BackgroundStructural genomics projects such as the Protein Structure Initiative (PSI) yield many new structures, but often these have no known molecular functions. One approach to recover this information is to use 3D templates – structure-function motifs that consist of a few functionally critical amino acids and may suggest functional similarity when geometrically matched to other structures. Since experimentally determined functional sites are not common enough to define 3D templates on a large scale, this work tests a computational strategy to select relevant residues for 3D templates. |
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