6TWA

Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state

Summary for 6TWA

Entry DOI	10.2210/pdb6twa/pdb
Descriptor	5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid, ... (5 entities in total)
Functional Keywords	nucleotide analog, en, 5nt, complex, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	59886.56
Authors	Pippel, J.,Strater, N. (deposition date: 2020-01-12, release date: 2020-02-19, Last modification date: 2020-04-08)
Primary citation	Bhattarai, S.,Pippel, J.,Scaletti, E.,Idris, R.,Freundlieb, M.,Rolshoven, G.,Renn, C.,Lee, S.Y.,Abdelrahman, A.,Zimmermann, H.,El-Tayeb, A.,Muller, C.E.,Strater, N. 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63:2941-2957, 2020 Cited by PubMed: 32045236 DOI: 10.1021/acs.jmedchem.9b01611 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation