A computer graphics system will be acquired for macromolecular structure-function analysis. The instrument will be used to support a variety of research projects in biochemistry and molecular biology. Among the projects to be supported are: 1) the structure of a flavoprotein dehydrogenase; 2) enzymes involved in carbon dioxide metabolism, notably ribulose bisphosphate carboxylase/oxygenase; 3) hemoprotein model com- pounds for hemoglobin and cytochromes; 4) drug-nucleic acid interaction; 5) metallothionein; 6) fibronectin; 7) NADPH- cytochrome C P-450 reductase; 8) acetyl-CoA synthesis; and 9) mechanism of aconitase. The research projects employ a variety of physical, chemical and biochemical methods for providing structural and functional information of the macromolecules being studied, with the emphasis being placed on the interpretation of X-ray diffraction data and NMR data. A fully interactive, high resolution computer graphics system is an indispensable adjunct to three dimensional structure analysis of biological macromolecules. This system will be used for working on the detailed atomic structure of crystallized proteins (by fitting models to electron density maps), for providing detailed analysis of the mode of binding of ligands or substrates to proteins and enzymes, for performing protein structure comparisons, for modeling protein-ligand and enzyme-substrate interactions, and for visualizing macromolecular structural details in an accurate and informative manner. The results of the molecular representations allow a more detailed understanding of macromolecular structure to emerge and contribute to our fundamental understanding of the functional role of proteins and to current efforts in biotechnology.
