5KOS

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, O (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
3	D, P (A, B)	2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide	non-polymer		518.7	2	Chemie (6VS)
4	E, F, G, H, I... (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	10	Chemie (DMS)
5	M, N, Q (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
6	T, U (A, B)	water	water		18.0	209	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73879.2
Non-Polymers*	Number of molecules	17
	Total formula weight	2579.5
All*	Total formula weight	76458.7

*Water molecules are not included.