Brand  (β version)

PDB ID: 3VV7

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Ligands
Code Name Style Show Link
0B1 2-amino-6-[(1s,2r)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3h)-one PoSSuM
GOL Glycerol PoSSuM
IOD Iodide ion PoSSuM
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Structure summary

Code : 3VV7   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one
Release Data : 2012-10-24
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 43-454
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: BACE1
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET28a
Authors : Yonezawa, S., Yamamoto, T., Yamakawa, H., Muto, C., Hosono, M., Hattori, K., Higashino, K., Sakagami, M., Togame, H., Tanaka, Y., Nakano, T., Takemoto, H., Arisawa, M., Shuto, S.
Keywords : ASPARTYL PROTEASE, BASE, BETA-SECRETASE, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.1000 Å )
Citation :

Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.

Yonezawa, S.,Yamamoto, T.,Yamakawa, H.  et al.
(2012)  J.Med.Chem.  55 : 8838 - 8858

PubMed: 22998419
DOI: 10.1021/jm3011405

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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