4H3J

Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile

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)	Beta-secretase 1	polymer	414	46249.9	2	UniProt (P56817) Pfam (PF00026)	Homo sapiens (human)	Aspartyl protease 2, ASP2, Asp 2, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Memapsin-2, Membrane-associated aspartic protease 2
2	C, E, F (A, B)	L(+)-TARTARIC ACID	non-polymer		150.1	3	Chemie (TLA)
3	D, G (A, B)	2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile	non-polymer		445.5	2	Chemie (10W)
4	H, I (A, B)	water	water		18.0	961	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92499.9
Non-Polymers*	Number of molecules	5
	Total formula weight	1341.3
All*	Total formula weight	93841.1

*Water molecules are not included.