Conformational analysis of the ligands bound to the active site of wild-type bCD38 and E218Q mutant.
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aTorsion angle O4′-C1′-N1N(or N9A)-C2N(or C4A), defined according to IUPAC-IUB nomenclature.bTorsion angle O5′-C5′-C4′-C3′.cTorsion angle C2N-C3N-C7N-O7N. The conformation of the carboxamide group is defined as O7N relative to position C2N of the nicotinamide.dTorsion angle PA-O5′-C5′-C4′.eBe and Bf refer, respectively, to the ‘extended’ and ‘folded’ conformations of the covalently linked ligand observed in chain B (see Figure 6).
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2015-12-02
