MV2-Eury Structural Homology Modeling
Comparative modeling of MV2-Eury Dsr A, B, and C subunits was performed after careful refinement of a structural alignment using ViTO (33) prior to model building using MODELLER (34) as a heterohexamer. The model was based on two templates PDB 3ORI1 (35) and PDB 3MM5 (36). The structure of the MV2-Eury heterotetramer was also modeled with AlphaFold2 (AF2) Multimer (37) from Deepmind, Inc. that is enabled for modeling of complexes, installed on the RensselaerĀ  Polytechnic Institute’s Center for Computer Innovation NPL cpu/gpu cluster (https://secure.cci.rpi.edu/wiki/clusters/NPL_Cluster/) providing sufficient random-access memory and accessibility to handle these relatively-large multi-chain protein complexes.