dear marek
although your description is not usual, we have seen this in some cases and
with different systems here. this behaviour is also not unheard of in the
literature (for example: menetrey et al., JBC 277, 30950 (2002). I would
continue pragmatic and build the ligand where the difference density reveals
it.
In my experience there is often an explanation either within the structure
(different monomer conformations, lattice packing, access .... ) or in the
biological system (eg. cooperativity) or exprimental conditions (ligand
amount, soluility, hydrolysis ...) that may help explain.
best wishes
alex
Dr. Alexander Pautsch
Boehringer Ingelheim Pharma GmbH & Co. KG
A Leitstrukturfindung
Tel.: +49 (7351) 54-4683
Fax: +49 (7351) 54-97924
mailto:[email protected]
<mailto:[email protected]>
Boehringer Ingelheim Pharma GmbH & Co. KG, Sitz: Ingelheim am Rhein;
Registergericht Mainz: HR A 22206; Komplementär Boehringer Ingelheim
Deutschland GmbH; Geschäftsführung: Dr. Engelbert Günster (Vorsitzender), Dr.
Wolfgang Baiker, Dr. Uwe Bücheler, Dr. Norbert Camp, Ralf Gorniak, Felix
Gutsche, Mark Hagmann, Dr. Helga Maria Jakob, Prof. Dr. Gerd Schnorrenberg,
Dr. Herbert Stein, Dr. Martin Wanning; Vorsitzender des Aufsichtsrates:
Engelbert Tjeenk Willink; Sitz: Ingelheim am Rhein; Registergericht Mainz: HR
B 23260
Diese E-Mail ist vertraulich zu behandeln. Sie kann besonderem rechtlichen
Schutz unterliegen. Wenn Sie nicht der richtige Adressat sind, senden Sie
bitte diese E-Mail an den Absender zurück, löschen die eingegangene E-Mail
und geben den Inhalt der E-Mail nicht weiter. Jegliche unbefugte Bearbeitung,
Nutzung, Vervielfältigung oder Verbreitung ist verboten. / This e-mail is
confidential and may also be legally privileged. If you are not the intended
recipient please reply to sender, delete the e-mail and do not disclose its
contents to any person. Any unauthorized review, use, disclosure, copying or
distribution is strictly prohibited.
-----Ursprüngliche Nachricht-----
Von: CCP4 bulletin board [mailto:[email protected]] Im Auftrag
von Marek Frischerkase
Gesendet: Donnerstag, 3. September 2009 14:07
An: [email protected]
Betreff: [ccp4bb] different AUs
Dear all,
I just solved my crystal structure and I was looking for my ligand. I have 4
molecules in the AU, but I found just in one molecule density for my ligand.
In the other 3 molecules appeared deep red density when I tried to build
something. Is this generally possible? The binding sites seem to be
accessible for all 4 molecules.
Can anyone give some suggestion what happened or what I should do?
Thank you very much,
Marek
