1ccn
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(New page: 200px<br /><applet load="1ccn" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ccn" /> '''DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR...)
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Revision as of 10:13, 20 November 2007
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DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL
Overview
A set of computer programs called DINOSAUR has been developed, which, allows the refinement of biomolecular structures directly from 2D NOE, intensities. The NOE restraining potential implemented emphasises the weak, intensities corresponding to larger distances which are more likely to, determine the three-dimensional structure. An approximation based on a, two-spin approximation is proposed for the gradient of the NOE intensities, instead of the exact solution which is extremely time-consuming. The, DINOSAUR routines have been implemented in various refinement programs, (Distance bound Driven Dynamics, Molecular Dynamics and Energy, Minimisation) and tested on an eight-residue model peptide.
About this Structure
1CCN is a Single protein structure of sequence from Crambe hispanica subsp. abyssinica. Full crystallographic information is available from OCA.
Reference
Direct NOE refinement of biomolecular structures using 2D NMR data., Bonvin AM, Boelens R, Kaptein R, J Biomol NMR. 1991 Sep;1(3):305-9. PMID:1841701
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