Physical Sciences and Mathematics Commons^™

Nmr-Based And Automated Docking Characterization Of Protein Structure, Dynamics, And Ligand Binding, Andrew Lawrence Olson

Dissertations (1934 -)

NMR-based methods used in conjunction with a technique called docking are used to characterize ligand binding to proteins. Standard NMR methods were used to study the backbone dynamics of substrate binding to phosphomevalonate kinase (PMK) and it was observed that ligand binding caused PMK to undergo large conformational changes. These changes were reflected by the appearance of many chemical shift changes upon binding of the natural substrates of PMK (both the binary and ternary complexes) in 1H-15N HSQC NMR titration experiments. The same process was used to characterize the effect ligand binding has on the many arginines in the active …