5KOQ

Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Renin	polymer	337	36939.6	2	UniProt (P00797) Pfam (PF00026)	Homo sapiens (Human)	Angiotensinogenase
2	C, E (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
3	D, F (A, B)	2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide	non-polymer		413.6	2	Chemie (6VR)
4	G (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	H, I (A, B)	water	water		18.0	87	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73879.2
Non-Polymers*	Number of molecules	5
	Total formula weight	1375.6
All*	Total formula weight	75254.8

*Water molecules are not included.