Re: [ccp4bb] unknown density for a small molecule

2009-02-10 Thread Herman . Schreuder
Dear Mengxia, the lower part could well be a sulfate ion. For the upper part, it is difficult to guess from a static picture. Unfortunately, at the resolution you have there are no programs which can build an unknown small molecule from scratch according to the density. You have to guess, fit it

Re: [ccp4bb] unknown density for a small molecule

2009-02-10 Thread artem
Hi, It could be all sorts of things, but the one that for some reason is stuck in my mind is isopentenyl phosphate (phosphate, not pyrophosphate!). Of course w/o seeing the density in 3D this is just a guess. Artem Dear All, When I was refining my structure, I found some unmodeled blobs,

Re: [ccp4bb] unknown density for a small molecule

2009-02-10 Thread Jayashankar
Hi, If you could send in stereo mode of the density you want to get suggestion, it will be convenient for the well trained eyes. S.Jayashankar Research Student Institute for Biophysical Chemistry Hannover Medical School Germany. On Tue, Feb 10, 2009 at 3:16 PM, ar...@xtals.org wrote: Hi,

Re: [ccp4bb] unknown density for a small molecule

2009-02-10 Thread Pamela Focia
Hi Mengxiao, The density sure reminds me of a nucleotide. Note the pi-pi stacking of the planar part between Tyr and Phe, and in the third stereo picture you attached, projections at what could be the 2 and 6 positions remind me of Guanine... plus there are Arg, Lys, etc. pointing toward

Re: [ccp4bb] unknown density for a small molecule

2009-02-10 Thread conancao
It could be purine or pyrimidine ring stacked between the Phe an Tyr. check pdb 3etr or 3eub of xanthine oxidase binding purine substrates between two Phe at the active site. Hongnan Cao UCR Date: Tue, 10 Feb 2009 00:23:54 -0500From: lvmengx...@gmail.comsubject: [ccp4bb] unknown density