PMC:2728246 / 51001-52089 JSONTXT

{"target":"http://pubannotation.org/docs/sourcedb/PMC/sourceid/2728246","sourcedb":"PMC","sourceid":"2728246","source_url":"https://www.ncbi.nlm.nih.gov/pmc/2728246","text":"Figure 6 displays a per-residue comparison of the order parameters from the highly restrained lowest-energy average NMR structures (pdb:1d3z), from the three dynamically-refined ensembles (pdb:1xqq, 2nr2 and 2k39) and from the “Backrub”-generated ensembles (“brub”) with those obtained from the MFA. While the pdb:1d3z structure can be considered as a good approximation for the average structure in solution for the backbone (Cornilescu et al. 1998), our results indicate that a single structure representation is not appropriate to describe the large amplitude side chain motions observed for ubiquitin. Not surprisingly, all the order parameters for this ensemble are larger than those from the MFA. Accordingly, the fit of the back-calculated order parameters with the experimental ones is the worst, both in terms of correlation factor (r) as well as rmsd as shown in Table 3.\nFig. 6 Order parameters plotted against residue position as back-calculated from different structural ensembles (blue:1d3z, green: 2nr2, yellow: 1xqq, red: 2k39, cyan: “backrub”-ensemble (brub), black: MFA)","divisions":[{"label":"label","span":{"begin":882,"end":888}}],"tracks":[]}