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Hello.

First, I think you might find the Suns Search tool helpful (the link to the
tool and associated information is this: http://degradolab.org/suns/). The
tool is authored by the DeGrado group, and is available as a PyMOL plugin.
It might be helpful in identifying any other similar interactions that
occur in other biological assemblies in the PDB.

Second, the CaPTURE tool (available for use online:
http://capture.caltech.edu/) is built to identify cation-pi interactions. I
don't know enough about the tool to know whether it will recognize the
adenine ring, but anyway, the associated publication (
http://www.pnas.org/content/96/17/9459.abstract) and the literature related
to it might give you more insight.

Wish you well,

Emily.


On Tue, Sep 6, 2016 at 11:07 PM, WENHE ZHONG <[log in to unmask]>
wrote:

> Dear CCP4BB,
>
> One tryptophan residue (side chain) in my case regulates the binding of
> AMP. The attached figure representing the relative position of the
> tryptophan and AMP. I am not very familiar with the chemistry in terms
> of π-stacking. So I am wondering whether it is a T-shaped stacking
> interaction between the aromatic rings? Any thought?
>
> Thanks!
>
>
> Kind regards,
> Wenhe
>



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