Accuracy of functional surfaces on comparatively modeled protein structures.

ABSTRACT: Identification and characterization of protein functional surfaces are important for predicting protein function, understanding enzyme mechanism, and docking small compounds to proteins. As the rapid speed of accumulation of protein sequence information far exceeds that of structures, constructing accurate models of protein functional surfaces and identify their key elements become increasingly important. A promising approach is to build comparative models from sequences using known structural templates such as those obtained from structural genome projects. Here we assess how well this approach works in modeling binding surfaces. By systematically building three-dimensional comparative models of proteins using MODELLER: , we determine how well functional surfaces can be accurately reprodu

SUBMITTER: Zhao J 

PROVIDER: S-EPMC3415962 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature