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[ccp4bb] Unidentified ligand (electron density) found at active site
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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Research Technician/Associate Position
From: Nithianantham Stanley nstanley76 {- at -} YAHOO {- dot -} COM
Date: 2007-11-30		Next message:
Subject: coot-bones not showing
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2007-11-30


Subject: Unidentified ligand (electron density) found at active site
From: Ronaldo Alves Pinto Nagem nagem {- at -} ICB {- dot -} UFMG {- dot -} BR
Date: 2007-11-30

Dear crystallographers,

I hope someone could give me a hint to solve this problem.
I have collected five datasets from the same protein and all of them,
including the highest resolution data set (1.6 angstrons), display at the
active site of the enzyme a very clear electron density with boundaries
well defined. The problem is that I have already tried to fit all kinds of
molecules present in the purification and crystallization conditions and
none of them fit well into the density.
Here are my questions: Is there any program available that could take a
small volume of the electron density map (obviously the unidentified
electron density ligand) and try to fit a list of known compounds (a list
that I do not have, by the way) for potential ligands? Or, is there any
website or program that could give me a list of compounds based only in
the backbone of the ligand I could sketch from the density (by backbone I
mean the plane shape of the compound – I do not know its atom
composition)?

I hope someone could help.

Thanks

Ronaldo.

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Research Technician/Associate Position
From: Nithianantham Stanley nstanley76 {- at -} YAHOO {- dot -} COM
Date: 2007-11-30		Next message:
Subject: coot-bones not showing
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2007-11-30
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