High-resolution neutron structure of nicotinamide adenine dinucleotide

摘要: The structure of the free-acid form coenzyme NAD+ was determined at 100 K from a single-crystal neutron experiment. is oxidized redox pair NAD+/NADH and plays an important role in catalysis biological processes. molecule crystallizes space group P1 with one four water molecules per unit cell. compared previous X-ray models [Reddy et al. (1981), J. Am. Chem. Soc. 103, 907–914; Parthasarathy & Fridey (1984b), Science, 226, 969–971; Guillot (2000), Acta Cryst. C56, 726–728]. crystal packing hydrogen-bond pattern are discussed as well short C—­H⋯O contacts involving pyridine adenine rings. displays stereochemical distortions owing to hydrogen bonding crystal-packing constraints, reflecting adaptability various chemical environments.