Re: [ccp4bb] Morphing with mutations

2007-10-05 Thread Mario A. Bianchet

Mario

   You guys don't be so modests. Implement the "idea" could take me 
quite some time and you
guys does it so easy (at least for me point of view :-) and nice. And is 
a good oportunity for me to Thanks for your many ideas...


Regards

Mario

Gerard DVD Kleywegt wrote:

 Quite a beauty... what a nice way to show the effect of the 
mutation in the binding site.

really nice,



don't be so modest, mario - he implemented *your* idea!!! :-)

--gerard

**
Gerard J.  Kleywegt
[Research Fellow of the Royal  Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology  University of Uppsala
Biomedical Centre  Box 596
SE-751 24 Uppsala  SWEDEN

http://xray.bmc.uu.se/gerard/  mailto:[EMAIL PROTECTED]
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Re: [ccp4bb] Domain swapping..... and unswapping.

2007-10-05 Thread Lin Chen
Dear Miriam, 

We have seen this in our study of the FOXP2/DNA complexes (Stroud et al., 
Structure, 14, 159-16, 2006).

Lin

Lin Chen, Ph.D.
Associate Professor
Molecular and Computational Biology
University of Southern California
1050 Childs Way, Los Angeles, CA 90089
Phone: 213-821-4277
Fax: 213-740-8631
e-mail: [EMAIL PROTECTED]
Web page: http://structure.usc.edu

- Original Message -
From: Miriam-Rose Ash <[EMAIL PROTECTED]>
Date: Friday, October 5, 2007 8:46 am
Subject: [ccp4bb] Domain swapping. and unswapping.
To: CCP4BB@JISCMAIL.AC.UK

> Hey all,
> 
> Sorry for the off-topic post, but I'm just wondering if anyone has 
> heard of any examples in which a single crystal contained both the 
> domain-swapped and unswapped forms of a protein?
> 
> Thanks!
> Miriam
> 


Re: [ccp4bb] Domain swapping..... and unswapping.

2007-10-05 Thread Stefan Arold

Dear Miriam

I had that case of the 4-helix bundle FAT domain of Focal Adhesion 
Kinase. It crystallised as a helix-swapped dimer (PDB ID 1k04, 
1mol/ASU), as a non-swapped 4helix bundle (1ow7, 3 mol/ASU), and as a 
hybrid, where 2 mols / ASU were not swapped, and one was swapped (1ow6).


With best wishes
Stefan





Miriam-Rose Ash a écrit :


Hey all,

Sorry for the off-topic post, but I'm just wondering if anyone has heard of any 
examples in which a single crystal contained both the domain-swapped and 
unswapped forms of a protein?

Thanks!
Miriam

 




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==
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Centre de Biochimie Structurale
CNRS UMR 5048 - UM 1 - INSERM UMR 554
29 rue de Navacelles 34090
MONTPELLIER Cedex  - France
email: [EMAIL PROTECTED]
Phone: +33 (0)4.67.41.77.02
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[ccp4bb] Structural Biology Post-Doctoral Position

2007-10-05 Thread Spiller, Benjamin

Dear CCP4 Users,

We have an opening for one federally funded post-doctoral position for a 
structural biologist or protein biochemist to study bacterial voltage-gated 
sodium channels.   The ideal candidate will be self-motivated, creative, 
organized, and experienced in crystallography or protein biochemistry.   The 
lab is a structural biology group within the department of Pharmacology at the 
Vanderbilt University medical center in Nashville, TN.

Nashville combines the features of a college town with those of a fairly large 
city.  Urban amenities include restaurants, museums, theatres, music, yet the 
cost of living is moderate and the city is very livable.

Please email questions, CV’s, and references to Ben Spiller: [EMAIL PROTECTED]

 


Re: [ccp4bb] Domain swapping..... and unswapping.

2007-10-05 Thread Myron Smith
Hi Miriam,
If you check PDB ID 1K50 you would see that the
asymmetric unit contains two monomers and a domain swapped dimmer. The
reference if you want to read the paper is:

O`Neill, J.W.,  Kim, D.E.,  Johnsen, K.,  Baker, D.,  Zhang,
K.Y.  Single-site mutations induce 3D domain swapping in the B1 domain
of protein L from Peptostreptococcus magnus.  Structure  v9 pp.
1017-1027, 2001

Regards 
Myron

-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Miriam-Rose Ash
Sent: Friday, October 05, 2007 3:41 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Domain swapping. and unswapping.

Hey all,

Sorry for the off-topic post, but I'm just wondering if anyone has heard
of any examples in which a single crystal contained both the
domain-swapped and unswapped forms of a protein?

Thanks!
Miriam



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Re: [ccp4bb] Domain swapping..... and unswapping.

2007-10-05 Thread Phil Evans
We've had a case recently (unpublished) with 4 molecules in the  
asymmetric unit, two self-contained and two domain-swapped  
(asymmetrically)


... anything is possible, though in this case the "domains" are  
really separate proteins expressed as an artificial fusion


Phil


On 5 Oct 2007, at 15:40, Miriam-Rose Ash wrote:


Hey all,

Sorry for the off-topic post, but I'm just wondering if anyone has  
heard of any examples in which a single crystal contained both the  
domain-swapped and unswapped forms of a protein?


Thanks!
Miriam


[ccp4bb] Domain swapping..... and unswapping.

2007-10-05 Thread Miriam-Rose Ash
Hey all,

Sorry for the off-topic post, but I'm just wondering if anyone has heard of any 
examples in which a single crystal contained both the domain-swapped and 
unswapped forms of a protein?

Thanks!
Miriam


[ccp4bb] Beamtime at SLS X06SA

2007-10-05 Thread Clemens Schulze-Briese

=
SYNCHROTRON BEAM TIME FOR MACROMOLECULAR CRYSTALLOGRAPHY
AT THE UNDULATOR BEAMLINE X06SA AT SLS FROM  JANUARY-APRIL 2008
=

- PILATUS 6M pixel detector  available for user operation at High 
Resolution Diffractometer.
Continuous data acquisition (10 frames per second) with 20 bit dynamic 
range,

see http://pilatus.web.psi.ch/  or www.dectris.com for further information

- CATS sample changer (http://www.irelec.fr/en/produit.asp?idproduit=38) 
to be installed in

April on HR - diffractometer

- Detector upgrade to mar225 CCD on Micro-Diffractometer MD2. This 
MAD-compatible
diffractometer allows for data collection with a beam size down to 5 
micrometers.


- ACTOR sample changer operational on the Micro-Diffractometer.
Adaptor for use of SPINE pucks in preparation.

- SLS is able to provide support for travel and accomodation for two 
users per trip:

http://sls.web.psi.ch/view.php/users/experiments/eusupport/index.html

- For recent highlights: 
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PROPOSAL SUBMISSION DEADLINE: Monday, October 15th 2007.

For further information and / or proposal submission:
http://sls.web.psi.ch/view.php/users/experiments/proposals/opencalls/PX/index.html 




Looking forward to seeing you at SLS,

Clemens Schulze-Briese

--
Dr. Clemens Schulze-Briese - [EMAIL PROTECTED]
---
Swiss Light Source at Paul Scherrer Institut
 CH-5232 Villigen PSI - http://sls.web.psi.ch
Phone +41 56 310 4533 - Fax -5292 - Secretary -3178


Re: [ccp4bb] Morphing with mutations

2007-10-05 Thread Mario A. Bianchet

Warren,

  Quite a beauty... what a nice way to show the effect of the 
mutation in the binding site.

really nice,

Mario
Warren DeLano wrote:


http://delsci.com/morph

It's a start...

-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Gerard DVD Kleywegt
Sent: Wednesday, October 03, 2007 6:55 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Morphing with mutations

 


  What about to do a cartesian morphing with the mutated
   

residue 
 


added (or removed) atoms having initial ( or final) coordinates  taken
   

from 
 


previous common atom?
  Will work? Coloring may be a factor... but with a manual
   

editing 
 


perhaps...
   



you mean, for instance, if you have an Ala->Trp you call the ala 'trp',
add 
all missing 'trp' side-chain atoms and put them on top of the CB, and
then 
morph to the real trp, so the additional side-chain atoms will slowly 
"explode" out of the CB and towards their final positions? (and for a
Trp->Ala 
mutation you could do the same thing of course, but the extra side-chain
atoms 
would then be "sucked up" by the CB like a black hole) yep, that is a
trick 
that would probably work!


if anyone gets it to work, i would be interested in seeing the result
and 
learning details, so i could add it to the lsqman manual or the morphing


tutorial

--dvd

**
Gerard J.  Kleywegt
[Research Fellow of the Royal  Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology  University of Uppsala
Biomedical Centre  Box 596
SE-751 24 Uppsala  SWEDEN

http://xray.bmc.uu.se/gerard/  mailto:[EMAIL PROTECTED]
**
   The opinions in this message are fictional.  Any similarity
   to actual opinions, living or dead, is purely coincidental.
**
 




--
=
Mario A. Bianchet Ph.D.| [EMAIL PROTECTED]
Instructor | http://juliet.med.jhmi.edu/~bianchet
Dept. of Biophysics and Biophysical| Address:725 N.Wolfe st, WBSB 614 
Chemistry, Johns Hopkins University| Baltimore, Maryland, 21205, USA
School of Medicine | 
Assistant Professor, (adjunct app.)| Phones: +1 (410) 931-2143(home) 
Center of Marine Biotechnology,| +1 (410) 614-8221(work)
University of Maryland !fax: +1 (410) 955-0637 
=