发信人: icestone (hahahaha), 信区: Biology
标 题: Re: a bioinformatics question
发信站: Unknown Space - 未名空间 (Fri Jun 18 00:23:36 2004) WWW-POST

very wild question. Unless by homology modelling, no structures can be
reliablely predicted so far. Ab initio was even not recommended by CASP
committees last time.

I guess your question is that for a given structure without any homologous
structures solved, how to predict the function. If it is enzyme, you can try
to look for its largest or second largest pockets and do the sequence or
structure comparison upon the pockets. The reasonable assumption behind is
that structures are more conserved than sequences, and functional pockets for
enzymes are more conserved than their global structures.

If it is not enzyme, you need to look for the potential protein-protein
binding sites ....... , too difficult so far to conjecture the function from
predicted interface.

To predict the funtion without homologous structures is still a game to the
computational biologists, far from the real world.

【 在 lyms (davido) 的大作中提到: 】
: Assuming that the three-dimensional structure of this protein can be
reliably
: predicted, how can the structure be used to predict the location of
functional
: sites? Is there any challenges involved in this endeavor?
:
:

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