4TMF

Crystal structure of human CD38 in complex with hydrolysed compound JMS713

Summary for 4TMF

Entry DOI	10.2210/pdb4tmf/pdb
Descriptor	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose (3 entities in total)
Functional Keywords	cd38, adp-ribosyl cyclase, cyclic adp-ribose, x-crystallography, calcium signaling, inhibitory compound, jms713, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	60656.09
Authors	Zhang, H.,Swarbrick, J.,Potter, B.,Hao, Q. (deposition date: 2014-06-01, release date: 2015-05-13, Last modification date: 2023-09-27)
Primary citation	Swarbrick, J.M.,Graeff, R.,Zhang, H.,Thomas, M.P.,Hao, Q.,Potter, B.V. Cyclic adenosine 5'-diphosphate ribose analogs without a "southern" ribose inhibit ADP-ribosyl cyclase-hydrolase CD38. J.Med.Chem., 57:8517-8529, 2014 Cited by PubMed: 25226087 DOI: 10.1021/jm501037u PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation