2VA5

X-ray crystal structure of beta secretase complexed with compound 8c

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	50194.6	1	UniProt (P56817) Pfam (PF00026)	HOMO SAPIENS (HUMAN)	BETA-SITE APP CLEAVING ENZYME 1, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, ASP 2, ASP2
2	B, C (A)	IODIDE ION	non-polymer		126.9	2	Chemie (IOD)
3	D (A)	2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one	non-polymer		254.3	1	Chemie (C8C)
4	E (A)	water	water		18.0	68	Chemie (HOH)

Sequence modifications

A: -62 - -48 (PDB: 2VA5)
A: -47 - 392 (UniProt: P56817)

PDB	External Database	Details
Lys -5	Arg 56	engineered mutation
Lys -4	Arg 57	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50194.6
Non-Polymers*	Number of molecules	3
	Total formula weight	508.1
All*	Total formula weight	50702.7

*Water molecules are not included.