3UDK

Crystal Structure of BACE with Compound 6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Beta-secretase 1	polymer	404	45156.7	1	UniProt (P56817) Pfam (PF00026) In PDB	Homo sapiens (human)	BACE, 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	A	tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate	non-polymer		316.4	1	Chemie (095)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
5	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6		water	water		18.0	36	Chemie (HOH)

Sequence modifications

A: -3 - 392 (UniProt: P56817)

PDB	External Database	Details
Arg 393	-	EXPRESSION TAG
Ser 394	-	EXPRESSION TAG
His 395	-	EXPRESSION TAG
His 396	-	EXPRESSION TAG
His 397	-	EXPRESSION TAG
His 398	-	EXPRESSION TAG
His 399	-	EXPRESSION TAG
His 400	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45156.7
Non-Polymers*	Number of molecules	6
	Total formula weight	677.4
All*	Total formula weight	45834.2

*Water molecules are not included.