5HE5

BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Beta-secretase 1	polymer	414	46249.9	2	UniProt (P56817) Pfam (PF00026) In PDB	Homo sapiens (Human)	Aspartyl protease 2,Asp 2,Beta-site amyloid precursor protein cleaving enzyme 1,Beta-site APP cleaving enzyme 1,Memapsin-2,Membrane-associated aspartic protease 2
2	A, B	L(+)-TARTARIC ACID	non-polymer		150.1	2	Chemie (TLA)
3	A, B	5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile	non-polymer		414.5	2	Chemie (60S)
4		water	water		18.0	939	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92499.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1129.1
All*	Total formula weight	93628.9

*Water molecules are not included.