[PyMOL] Symmetry Mates Problem

2010-05-18 Thread humayun scherrif
Dear All, I have been trying to generate physiological relevant Hexameric structure of my recently solved trimer structure by using Symmetry Mates in Pymol, but I am unable to find appropriate hexamer even with all type of symmetry options available in Pymol (different distances) Surface contact o

Re: [PyMOL] Symmetry Mates Problem

2010-05-19 Thread Thomas Holder
Hi Humayun, are you sure the protein is hexameric? Didn't PISA give you a hexameric assembly for your structure? Cheers, Thomas On Wed, 2010-05-19 at 15:12 +0900, humayun scherrif wrote: > Dear All, > > I have been trying to generate physiological relevant Hexameric > structure of my recent

Re: [PyMOL] Symmetry Mates Problem

2010-05-19 Thread humayun scherrif
Thank you all for the replies. - The protein itself makes hexamer which is well documented and proved structural evidence from other cytoplasmic domains ( my structure is also a domain). - I have run PISA, but the online PISA server didnt give me output like standalone PISA in CCP4

Re: [PyMOL] Symmetry Mates Problem

2010-05-19 Thread Tsjerk Wassenaar
Hi Humayun, Crystallograpic symmetries are often not of much help to construct biologically relevant complexes. Do you have (a) a reference of the hexameric structure, or (b) of a hexameric homologue, or (c) is it only known to form hexamers and is the structure still unsolved? In case of (a), the

Re: [PyMOL] Symmetry Mates Problem

2010-05-19 Thread humayun scherrif
Hello, Thank you for detailed explanation, surely it is helping me to sort out the possibilities. As per your query a) There are many references that the protein is a Hexamer, but I am considering, because the domain which I have got structure, interacts with other proteins to make a biological c

Re: [PyMOL] Symmetry Mates Problem

2010-05-19 Thread Tsjerk Wassenaar
Hi Humayun, Yes, then you seem to be left with docking as the only option. There are servers for that too, but since you want to do six-body docking, you may need to contact somebody for assistance/guidance. Cheers, Tsjerk On Wed, May 19, 2010 at 1:11 PM, humayun scherrif wrote: > Hello, > Tha

Re: [PyMOL] Symmetry Mates Problem

2010-05-19 Thread Maia Cherney
In his latest paper E. Krissinel (2009). /Crystal contacts as nature's docking solutions/. J. Comp. Chem., in press; published on-line 6 May 2009; DOI 10.1002/jcc.21303 Krissinel wrote that DGdiss error is 5kcal/mol. I think that DG~5kcal/mol is a gray zone. Then he compares docking results wi

Re: [PyMOL] Symmetry Mates Problem

2010-05-19 Thread humayun scherrif
Thank you all and certainly seems llike now I am going to some right direction. I have read some discussion part (page 14) of the paper Maia sent, as stated below, the BSA ( value for my dimer interfaces are ~1000 (as predicted by PISA) which according to the Krissinel paper, is biological relevan