3INE

Bace1 with the aminohydantoin Compound S-34

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Beta-secretase 1	polymer	415	46441.0	1	UniProt (P56817) Pfam (PF00026) In PDB	Homo sapiens (human)	Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2
2	A	(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one	non-polymer		367.5	1	Chemie (X17)
3		water	water		18.0	122	Chemie (HOH)

Sequence modifications

A: 47 - 455 (UniProt: P56817)

PDB	External Database	Details
His 456	-	expression tag
His 457	-	expression tag
His 458	-	expression tag
His 459	-	expression tag
His 460	-	expression tag
His 461	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	46441.0
Non-Polymers*	Number of molecules	1
	Total formula weight	367.5
All*	Total formula weight	46808.5

*Water molecules are not included.