Re: [modeller_usage] reg: modeling against docked protein-ligand complex
Hello Sir, Could you tell me where am going wrong?
On Wed, Jul 15, 2020, 2:10 PM Anwesha Mohapatra < anwesha.mohapatra11@gmail.com> wrote:
> > > https://mail.google.com/mail/u/0?ui=2&ik=2650c6341a&attid=0.1&permmsgid=msg-a:r-3682490549874537430&th=1734ec531540268a&view=att&disp=safe&realattid=f_kcmboc151 > Hello Sir, > > I have a protein (6eqe.pdb) which I have docked to a ligand using autodock > vina. I want to model my query gene taking this receptor-ligand complex as > the template. The ligand is identified as UNK in the pdb file. On modeling > I am not getting all the atoms of the ligand in the modelled output (Only 1 > carbon and 1 oxygen).Attached to this mail are the template file which has > been docked to the ligand *(6eqe_bhet.pdb) , *the modelled protein with > incomplete/erroneous ligand > *(ARN19002.1_Rhizobacter_gummiphilus_NS21.B99990001.pdb)* and the > alignment file for the same* > (ARN19002.1_Rhizobacter_gummiphilus_NS21.ali) . * > Could you please look into the files? > > Kindly let me know where I am going wrong. > > Thanks and regards > Anwesha >
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Anwesha Mohapatra