2G1R

Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring

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	333	36566.2	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)	N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE	non-polymer		398.5	2	Chemie (3IG)
4	G, H (A, B)	water	water		18.0	370	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73132.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1239.3
All*	Total formula weight	74371.8

*Water molecules are not included.