ADL: (no subject)
qiaoyan at dicp.ac.cn
Wed Mar 26 00:26:30 PDT 2008
I am now working on a GPCR system as part of my bachelor's degree. Now the
crystal structure of beta2-adrenergic receptor can be accessed, which PDB ID
is 2I35 in http://www.rcsb.org <http://www.rcsb.org/> . But in 2I35, the
third internal loop is substituted by T4L protein in order to achieve a
better crystallization.I wang to remove the T4L.let the the protein with
the absence of the third loop to dock to the carazolol-a partial inverse
anatagonist.there is an error:autogrid4.warning:Found an H bonding atom with
thre bonded atoms,atom series nunmber 676.
Another question:how big the grid box should be ?when I use the intergal
protein,everything went fine until it begin to dock,
eval.cc: ERROR! energy is infinite!I don't understand why,please help
me.thank you for your attention.
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