hCB1(TMH7/H
cool NMR structural analysis. All NMR spectra were processed using Topspin 2.1 (Bruker BioSpin) and visualized using CARA [17] and CCPN [18] software suites. Nuclear Overhauser effect (NOE) assignments were improved by
Quizartinib KNOWNOE protocol [19]. All resonances were assigned by using interactive interpretation of standard phase-sensitive TOCSY and NOESY NMR spectra [20]. A total of 1224 NOEs were classified as short-, medium-, and long-range ( Table 1). Structure calculations were performed by Xplor-NIH [21]. The 18 lowest-energy conformations in explicit water were obtained by molecular dynamics simulation refinement using the
birth rate Crystallography and NMR System software suite [22] and [23]. Structures were validated by the PSVS Protein Structure software suite (http://psvs-13.nesg.org/) and visualized with MOLMOL [24] and Discovery Studio Visualizer (Accelrys Inc., San Diego, CA, USA). Atomic coordinates have been deposited in the Research Collaboratory for Structural Bioinformatics Protein Data Bank (pdb id: 2koe). The NMR data have been deposited in BioMagResBank (accession number 16504).
