6UJ1

BACE2 mutant in complex with a macrocyclic compound

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 2	polymer	460	49442.0	2	UniProt (Q9Y5Z0) Pfam (PF00026)	Homo sapiens (Human)	Aspartic-like protease 56 kDa,Aspartyl protease 1,Asp 1,Beta-site amyloid precursor protein cleaving enzyme 2,Beta-site APP cleaving enzyme 2,Down region aspartic protease,DRAP,Memapsin-1,Membrane-associated aspartic protease 1,Theta-secretase
2	C, D (A, B)	(3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide	non-polymer		628.9	2	Chemie (L3M)

Sequence modifications

A, B: -61 - 398 (UniProt: Q9Y5Z0)

PDB	External Database	Details
Ala 269	Glu 331	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98884.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1257.7
All*	Total formula weight	100141.7

*Water molecules are not included.