2G1S

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	Renin	polymer	333	36566.2	2	UniProt (P00797) Pfam (PF00026) In PDB	Homo sapiens (human)	Angiotensinogenase
2	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
3	A, B	(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE	non-polymer		469.5	2	Chemie (4IG)
4		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	1381.4
All*	Total formula weight	74513.8

*Water molecules are not included.