1ccn | pdb_00001ccn

DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL

spinqualitylabelsall models 1ccn, 1 NMR models Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 1ccn is a 1 chain structure with sequence from Crambe hispanica subsp. abyssinica. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance. Related: 1ccm Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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