3LPK

Structure of BACE Bound to SCH747123

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	455	50220.5	2	UniProt (P56817) Pfam (PF00026)	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	C, E (A, B)	L(+)-TARTARIC ACID	non-polymer		150.1	2	Chemie (TLA)
3	D, F (A, B)	N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide	non-polymer		684.8	2	Chemie (Z76)
4	G, H (A, B)	water	water		18.0	877	Chemie (HOH)

Sequence modifications

A, B: 14 - 454 (UniProt: P56817)

PDB	External Database	Details
Met 0	-	expression tag
Ala 1	-	expression tag
Ser 2	-	expression tag
Met 3	-	expression tag
Thr 4	-	expression tag
Gly 5	-	expression tag
Gly 6	-	expression tag
Gln 7	-	expression tag
Gln 8	-	expression tag
Met 9	-	expression tag
Gly 10	-	expression tag
Arg 11	-	expression tag
Gly 12	-	expression tag
Ser 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	100441.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1669.8
All*	Total formula weight	102110.7

*Water molecules are not included.