Het-PDB Navi2 (PDB: 5IE1)

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Ligands
Code	Name	Link
6BS	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide	PoSSuM
GOL	Glycerol	PoSSuM
IOD	Iodide ion	PoSSuM

Non-standard Residues
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Download interaction data: 5IE1

Code :

5IE1 PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Crystal structure of BACE1 in complex with 3-(2-amino-6-(O-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide

Release Data :

2016-03-30

Compound :

mol_id	molecule	chains	synonym
1	Beta-secretase 1	A	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
	ec: 3.4.23.46 fragment: UNP residues 43-453

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Enterobacteria phage L1 (taxid:268588)
	gene: BACE1, BACE, KIAA1149

Authors :

Jordan, J.B., Whittington, D.A., Bartberger, M.D., Sickmier, E.A., Chen, K., Cheng, Y., Judd, T.

Keywords :

aspartic protease, Alzheimer's disease, APP, amyloid precursor protein, HYDROLASE

Exp. method :

X-RAY DIFFRACTION ( 2.298 Å )

Citation :

Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.

Jordan, J.B.,Whittington, D.A.,Bartberger, M.D. et al.
(2016) J.Med.Chem. 59 : 3732 - 3749

Chain :

UniProt :

P56817 (BACE1_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
Broad endopeptidase specificity. Cleaves Glu-Val-Asn-Leu-\|- Asp-Ala-Glu-Phe in the Swedish variant of Alzheimer's amyloid precursor protein.	3.4.23.46	PubMed:10677483
	-	PubMed:10677483

PDB ID: 5IE1