8P8C
HUMAN CD38 ECTODOMAIN BOUND TO COMPOUND 9-ADPR ADDUCT
Summary for 8P8C
Entry DOI | 10.2210/pdb8p8c/pdb |
Descriptor | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate (3 entities in total) |
Functional Keywords | cd38, nad+, nucleophilic, covalent inhibitor, hydrolase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 30614.44 |
Authors | Rangel, V.,Zebisch, M.,Doyle, K.J.,Burli, R.W. (deposition date: 2023-05-31, release date: 2023-07-26, Last modification date: 2024-10-16) |
Primary citation | Doyle, K.,Roberts, M.,Harvey, J.,Hewer, R.,Zebisch, M.,Rangel, V.,Gu, M.,Wu, Y.,Yang, L.,Carlton, M.,Dawson, L.,Burli, R. A Covalent Binding Mode of a Pyrazole-Based CD38 Inhibitor Helv.Chim.Acta, 106:-, 2023 Cited by DOI: 10.1002/hlca.202300080PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.653 Å) |
Structure validation
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