5ENM

Compound 10

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Beta-secretase 1	polymer	455	50220.5	1	UniProt (P56817) Pfam (PF00026)	Homo sapiens (Human)	Aspartyl protease 2,Asp 2,Beta-site amyloid precursor protein cleaving enzyme 1,Beta-site APP cleaving enzyme 1,Memapsin-2,Membrane-associated aspartic protease 2
2	B (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	C (A)	IODIDE ION	non-polymer		126.9	1	Chemie (IOD)
4	D (A)	(2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine	non-polymer		403.4	1	Chemie (5QU)
5	E (A)	water	water		18.0	131	Chemie (HOH)

Sequence modifications

A: 1 - 441 (UniProt: P56817)

PDB	External Database	Details
Met -13	-	initiating methionine
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	1
	Total formula weight	50220.5
Non-Polymers*	Number of molecules	3
	Total formula weight	622.4
All*	Total formula weight	50842.9

*Water molecules are not included.