Brand  (β version)

PDB ID: 4DUS

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Ligands
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0MP N-((2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-B]pyridin]-4'-yl)amino)butan-2-yl)acetamide PoSSuM
GOL Glycerol PoSSuM
IOD Iodide ion PoSSuM
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Structure summary

Code : 4DUS   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/Hydrolase Inhibitor
Title : Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-B]pyridin]-4'-yl)amino)butan-2-yl)acetamide
Release Data : 2012-10-10
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A 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
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 Escherichia coli  (taxid:562)
gene: BACE1, BACE, KIAA1149
Authors : Sickmier, E.A.
Keywords : Hydrolase, Aspartyl protease, APP, HYDROLASE-Hydrolase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.5000 Å )
Citation :

A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.

Kaller, M.R.,Harried, S.S.,Albrecht, B.  et al.
(2012)  ACS Med Chem Lett  3 : 886 - 891

PubMed: 24900403
DOI: 10.1021/ml3000148

Reaction

Chain : A
UniProt : P56817 (BACE1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
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
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