Het-PDB Navi2 (PDB: 5HDZ)

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Ligands
Code	Name		Style	Show	Link
954	5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-D]pyrimidin-7a-yl}thiophene-2-carbonitrile				PoSSuM

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Download interaction data: 5HDZ

Code :

5HDZ PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylthio)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-D]pyrimidin-2-iminium

Release Data :

2016-03-16

Compound :

mol_id	molecule	chains	synonym
1	Beta-secretase 1	A,B	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 41-454

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: BACE1, BACE, KIAA1149

Authors :

Orth, P.

Keywords :

ALZHEIMER'S, ASPARTYL PROTEASE, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX

Exp. method :

X-RAY DIFFRACTION ( 1.4900 Å )

Citation :

Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.

Mandal, M.,Wu, Y.,Misiaszek, J. et al.
(2016) J.Med.Chem. 59 : 3231 - 3248

PubMed: 26937601
DOI: 10.1021/acs.jmedchem.5b01995

Chain :

A, B

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: 5HDZ

Hetero Atom Contents

Structure summary

Reaction