Re: [ccp4bb] ITC with heterogeneous protein

2014-07-18 Thread Jeff Holden
If the following is not deleterious to your protein and its function you could introduce mutations that prevent dimerization. ~Jeff I have a similar case, where in there are multiple binding sites on the protein for the ligand and ligand induces dimerization.So it is not helpful even if I

[ccp4bb] solvent exposed

2014-06-25 Thread Jeff Holden
Experts, I would like to compare the substrate binding site of two homologous proteins. Based on crystal structures it is clear that the substrate binding site of protein A is more solvent exposed then protein B. Is there a way to measure the solvent exposure of the substrate in protein A and B?

Re: [ccp4bb] Dock two substrates into enzyme

2014-03-25 Thread Jeff Holden
As I recall autodock vina is not set up to dock two ligands at once. That might be a better question to ask the autodock listserve. Regardless, I would recommend docking one compound at a time to generate a reasonable amount of docking poses. From the first round of docking you could then treat