On 2/25/20 7:26 AM, Stefano Motta wrote: > I'm trying to build a model of a hetero-dimer starting from an X-ray > structure. Each monomer have 3 domains (6 in total). An X-ray structure > of part of the complex (two domains of each monomer) exist and I want to > complete the model with the two missing domains (one for each monomer). > I would use the X-ray of homologous proteins for which all 6 domains are > available. Which would be the best approach? I want to keep the X-ray > part as frozen as possible, and only model the two missing domains from > the template (both structure and orientation in the complex).
This should a straightforward application of multiple-template modeling. You may just need to manually modify the alignment if you get conflicts (e.g. don't align the model with the 6-domain template in some regions if it doesn't align well with your X-ray structure).
Ben Webb, Modeller Caretaker