Crystallochemistry and structural analysis of biomolecules 0600-S1-CM-KASB

Basic concepts: crystal lattice structure, unit cell, symbols of points, lines and lattice planes, crystallographic systems, tetrahedron. Elements of symmetry (center of symmetry, axis of symmetry, plane of symmetry) - matrixes. Symmetry of a molecule. Point groups, international, and Schoenflis symbols. Recognition of symmetry elements, point groups, and crystallographic systems. Translations: Bravais lattices and translational symmetry elements. Space groups. Symmetrically equivalent points. X-ray crystallography. Bragg and Laue equations. Debye, Scherrer and Hull method. Structure factors and electron density. Friedel's law, Laue diffraction groups. Systematic extinctions. Phase problem. Patterson function and direct methods. Methods for solving the phase problem for small molecule compounds and proteins enabling the calculation of the electron density distribution function. Specificity and limitations of protein crystallography methods. Fundamentals of bioinformatic methods for sequence comparison and identification of models suitable for the MR method. Design of drugs based on the spatial structure of receptors. Modeling of interactions between potential drugs and their protein receptors. Software used in solving, refining and depositing crystal structures of proteins and small molecule compounds. Visualization of small molecule and macromolecule structures.