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 Instituteās 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.