Ivan Shabalin
Ivan Shabalin is a research associate in the laboratory of Wladek Minor at the University of Virginia. His talk addressed the issue of proper assignment of magnesium ions in RNA structures. While Mg2+ ions are expected to be common in RNA structures by nature of their ability to coordinate favorably with phosphate ligands, incorrect assignment of magnesium ions to electron density peaks in RNA structures is also a common problem. Ivan pointed out the challenges of correctly identifying magnesium ions (no anomalous signal, similar electron density to water molecules), but also the rigid octahedral coordination geometry that should be present. By analyzing various criteria including coordination environment (geometry, number of ligands, symmetry and distances) and B-factor correlations, Ivan proposed a formalized strategy for identifying and judging magnesium sites in RNA structures. This approach was well received by the audience and sparked discussions for incorporating such an approach into exisiting structure validation tools. Ivan’s talk can be viewed here.
Acknowledgements
This venture would not be possible without generous funding from the ACA. We are grateful for the financial support. In addition, we would like to thank James Holton for continuing to provide logistical support. We are also indebted to our speakers for their time sharing experience and advice. Finally, thank you to Ms. Alyssa Crick for graphic design.
