4FSE

crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with N-(N-(4-amino-3,5- dichlorobenzyl)carbamimidoyl)-3-(4-methoxyphenyl)-5- methyl-4-isothiazolecarboxamide

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, D (A, B, D, E)	Beta-secretase 1	polymer	455	50220.5	4	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	E, H, K, N (A, B, D, E)	N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide	non-polymer		464.4	4	Chemie (0VA)
3	F, G, I, J, L... (A, B, D, E)	IODIDE ION	non-polymer		126.9	9	Chemie (IOD)
4	R, S, T, U (A, B, D, E)	water	water		18.0	435	Chemie (HOH)

Sequence modifications

A, B, D, E: 1 - 441 (UniProt: P56817)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	200882.0
Non-Polymers*	Number of molecules	13
	Total formula weight	2999.6
All*	Total formula weight	203881.6

*Water molecules are not included.