3TPL

APO Structure of BACE1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Beta-secretase 1	polymer	433	48222.9	3	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	D, F, G (A, C)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	E (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	H, I, J (A, B, C)	water	water		18.0	98	Chemie (HOH)

Sequence modifications

A, B, C: -18 - 393 (UniProt: P56817)

PDB	External Database	Details
Met -39	-	expression tag
Gly -38	-	expression tag
Ser -37	-	expression tag
Ser -36	-	expression tag
His -35	-	expression tag
His -34	-	expression tag
His -33	-	expression tag
His -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
Ser -29	-	expression tag
Ala -28	-	expression tag
Gly -27	-	expression tag
Glu -26	-	expression tag
Asn -25	-	expression tag
Leu -24	-	expression tag
Tyr -23	-	expression tag
Phe -22	-	expression tag
Gln -21	-	expression tag
Gly -20	-	expression tag
Thr -19	-	expression tag
Ala 75	Lys 136	engineered mutation
Ala 77	Glu 138	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	144668.8
Non-Polymers*	Number of molecules	4
	Total formula weight	323.6
All*	Total formula weight	144992.4

*Water molecules are not included.