Brand  (β version)

PDB ID: 6JSZ

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
C7O N-[3-[(5r)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$L^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide PoSSuM
CL Chloride ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 6JSZ   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/IMMUNE SYSTEM
Title : BACE2 xaperone complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Release Data : 2019-08-28
Compound :
mol_id molecule chains synonym
1 Beta-secretase 2 A Aspartic-like protease 56 kDa,Aspartyl protease 1,Asp 1,Beta-site amyloid precursor protein cleaving enzyme 2,Beta-site APP cleaving enzyme 2,Down region aspartic protease,DRAP,Memapsin-1,Membrane-associated aspartic protease 1,Theta-secretase
ec: 3.4.23.45
mutation: AEPLC, ALP56, ASP21
mol_id molecule chains
2 XAPERONE D
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: BACE2, AEPLC, ALP56, ASP21, CDA13, UNQ418/PRO852
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) HUMAN
synthetic: yes
Authors : Fujimoto, K., Matsuoka, E., Asada, N., Tadano, G., Yamamoto, T., Nakahara, K., Fuchino, K., Ito, H., Kanegawa, N., Moechars, D., Gijsen, H.J.M., Kusakabe, K.I.
Keywords : BACE2, HYDROLASE, HYDROLASE-IMMUNE SYSTEM complex
Exp. method : X-RAY DIFFRACTION ( 1.5300 Å )
Citation :

Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.

Fujimoto, K.,Matsuoka, E.,Asada, N.  et al.
(2019)  J.Med.Chem.  62 : 5080 - 5095

PubMed: 31021626
DOI: 10.1021/acs.jmedchem.9b00309

Reaction

Chain : A
UniProt : Q9Y5Z0 (BACE2_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. 3.4.23.45 PubMed:11083922, PubMed:21907142
-