Atomic modeling of an immature retroviral lattice using molecular dynamics and mutagenesis
7/29/2015
CPLC graduate fellow, Boon Chong Goh and CPLC postdoctoral fellow, Juan Perilla, led a collaboration between the Schulten group at CPLC and Beckman Institute and the Craven group at Pennsylvania State University, and provided the first atomic structure of immature retroviral lattice for the Rous Sarcoma Virus. The multi-domain RSV model was derived through a combination of state-of-the-art modeling techniques, including, cryo-EM-guided homology modeling, large-scale molecular dynamics simulations together with experimental measurements such as X-ray crystallography and biochemical data. Particularly, the model reveals novel features of the packing and dynamics of the immature capsid protein with implications for the maturation process and confirms the stabilizing roles of the so-called upstream and downstream domains of the immature RSV. More information is available on the journal webpage (http://www.cell.com/structure/abstract/S0969-2126(15)00220-8) and in a highlight video (https://www.youtube.com/watch?v=0_A3_pOSiQQ)