While working on PDB entries 1F0N and 1F0P, I aligned the side-chain
dipoles of 4 asparagines with the side-chain dipoles of tryptophans
(ring nitrogen is slightly negative, the rest of the 5-membered ring is
slightly positive). Aligning dipoles simultaneously optimized hydrogen
bonding for the 4 asparagines. So that could be a simultaneous pi-stack
and dipole interaction (and hydrogen bonds).
me, et al J. Molecular Biology (2001) 307, 671-681.
On 11/10/18 1:45 AM, Michael Jarva wrote:
Dear ccp4 community,
I have recently been working with a structure that has an Asparagine
that makes a planar stacking connection with a Tryptophan ring
(pep_ASN-TRP_v2.png), that seem to be a true pi-stacking interaction
and I'd like to find more examples of this.
I've found a few other examples in the literature but they are
mostly amide hydrogen-pi interactions (4PTI_ASN-TYR_v2.png and
1N4W_ASN-FAD_v2.png), which can be seen by the way the Asn is dipping
down into the pi-cloud. One potential exception is of a DNA-binding
protein where the orientation is more planar (3HXQ_GLN-DNA_v2.png).
So, I'm looking for examples of Asparagine or Glutamine pi-stacking
and am sure there are more of them out there and would greatly
appreciate any examples.
best regards
Michael
Michael Jarva, PhD
ACRF Chemical Biology Division
The Walter and Eliza Hall Institute of Medical Research
1G Royal Parade
Parkville Victoria 3052
Australia
Phone: +61 3 9345 2493 <tel:+61%203%209345%202493>
Email: jarv...@wehi.edu.au | Web: http://www.wehi.edu.au/
The ACRF Chemical Biology Division is supported by the
Australian Cancer Research Foundation
_______________________________________________
The information in this email is confidential and intended solely for
the addressee.
You must not disclose, forward, print or use it without the permission
of the sender.
The Walter and Eliza Hall Institute acknowledges the Wurundjeri people
of the Kulin
Nation as the traditional owners of the land where our campuses are
located and
the continuing connection to country and community.
_______________________________________________
------------------------------------------------------------------------
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
########################################################################
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
