structural-biology-2017-scientifictracks-abstracts

45 / 103

Page 77
Notes:
conferenceseries.com
Volume 10, Issue 8 (Suppl) J Proteomics Bioinform, an open access journal
ISSN: 0974-276X Structural Biology 2017
September 18-20, 2017
9th International Conference on
Structural Biology
September 18-20, 2017 Zurich, Switzerland
Study on the conformational transition between the alternative and collapsed form of prethrombin-2:
Targeted molecular dynamics and free energy sampling
Sangwook Wu1, Hunjoo Myung2
1Pukyong National University, South Korea
2Korea Institute of Science and Technology Information, South Korea
The alternative and collapsed forms of prethrombin-2 are revealed by X-ray crystallogrphy. We analyzed the conformational
transition from the alternative to the collapsed form employing targetedmolecular dynamics simulation and 2-dimensional
free energy landscape using WHAM method. Some hydrophobic residues (W60d, W148, W215, and F227) show a significant
difference between the two conformations in the conformational transition process. We show that the four hydrophobic
residues undergo concerted movement from dimer to trimer transition via tetramer state in the conformational change
from the alternative to the collapsed form. Also, we reveal that the concerted movement of the four hydrophobic residues is
controlled by movement of specific loop regions behind. In this study, we discuss the difference between the transition path
generated by the targeted Mplease let m eD simulation and the transition path with minimum Boltzmann weighting on the
two-dimensional free energy surface (FES).
Biography
Sangwook Wu received his B.A. degree in Biochemistry from Yonsei University (Korea) in 1990. After working as a Scientist at Samsung Display Devices (1995-
1999), he obtained his Ph.D. in theoretical condensed matter physics from Iowa State University (1999-2005). He joined the computational biophysics lab at UNC-
Chapel Hill (Dr. Lee Pedersen) as postdoctoral research associate (2005-2014). From 2014 to the present, he has been a faculty member at Pukyong National
University in Korea. His research interests are in the areas of computational dynamics of biological macromolecules.
Sangwook Wu et al., J Proteomics Bioinform 2017, 10:8(Suppl)
DOI: 10.4172/0974-276X-C1-0100