Brand  (β version)

PDB ID: 2ZJK

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Ligands
Code Name Style Show Link
F1K (2s)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 2ZJK   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Release Data : 2009-01-20
Compound :
mol_id molecule chains synonym
1 Beta-secretase 1 A,B,C Beta-site APP cleaving enzyme 1, Beta-site amyloid precursor protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2
ec: 3.4.23.46
fragment: BACE1 catalytic domain, UNP residues 43-446
mutation: T72C
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) Star
expression_system_vector_type: PLASMID
expression_system_plasmid: PET11A
Authors : Randal, M., Lam, M.B., Lu, W., Romanowski, M.J.
Keywords : BACE1, small-molecule inhibitor, Tethering, Alternative splicing, Aspartyl protease, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Exp. method : X-RAY DIFFRACTION ( 3.00 Å )
Citation :

Fragment-based discovery of novel BACE1 inhibitors using Tethering technology

Yang, W.,Fucini, R.V.,Fahr, B.T.  et al.
To be Published 

Reaction

Chain : A, B, C
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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