Het-PDB Navi2 (PDB: 3IXK)

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Ligands
Code	Name		Style	Show	Link
929	N-[(2s,3s,5r)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide				PoSSuM

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Download interaction data: 3IXK

Code :

3IXK PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Potent beta-secretase 1 inhibitor

Release Data :

2010-09-08

Compound :

mol_id	molecule	chains	synonym
1	Beta-secretase 1	A,B,C	Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2
	ec: 3.4.23.46 fragment: UNP residues 42-446

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:469008)
	gene: BACE1, BACE, KIAA1149 expression_system_strain: BL21(DE3) expression_system_vector_type: PLASMID expression_system_plasmid: PET11A

Authors :

Borkakoti, N., Lindberg, J.D., Nystrom, S.

Keywords :

BACE, beta-secretase, statine, inhibitor, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, ZYMOGEN, Disulfide bond

Exp. method :

X-RAY DIFFRACTION ( 2.50 Å )

Citation :

Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core.

Wangsell, F.,Gustafsson, K.,Kvarnstrom, I. et al.
(2010) Eur.J.Med.Chem. 45 : 870 - 882

Chain :

A, B, C

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: 3IXK