6edr

Crystal Structure of Human CD38 in Complex with 4'-Thioribose NAD+

spinqualitylabelsall models 6edr, resolution 2.40Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6edr is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.4Å Ligands: ZNA Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function CD38_HUMAN Synthesizes cyclic ADP-ribose, a second messenger for glucose-induced insulin secretion. Also has cADPr hydrolase activity. Also moonlights as a receptor in cells of the immune system. Publication Abstract from PubMed Nicotinamide adenine dinucleotide (NAD(+)) is an essential cofactor participating in a variety of important enzyme-catalyzed physiological and pathophysiological processes. Analogues of NAD(+) provide key and valuable agents for investigating NAD(+)-dependent enzymes. In this study, we report the preparation of a novel stable NAD(+) mimic, 4'-thioribose NAD(+) (S-NAD(+)), using a facile and efficient chemoenzymatic approach. Substrate activity assays indicated the resulting S-NAD(+) is chemically inert to human CD38 and sirtuin 2 enzymes, but capable of participating in redox reactions in a manner similar to NAD(+). X-ray crystallographic analysis revealed binding of S-NAD(+) to the active site of human CD38 and critical residues involved in leaving group activation and catalysis. By more closely mimicking NAD(+) in geometry and electrostatics, the generated S-NAD(+) offers a unique and important tool that can be extended to study enzymes utilizing NAD(+). Facile chemoenzymatic synthesis of a novel stable mimic of NAD().,Dai Z, Zhang XN, Nasertorabi F, Cheng Q, Pei H, Louie SG, Stevens RC, Zhang Y Chem Sci. 2018 Oct 15;9(44):8337-8342. doi: 10.1039/c8sc03899f. eCollection 2018 , Nov 28. PMID:30568770 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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