PDB entry 2zjn

View 2zjn on RCSB PDB site
Description: Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
Class: hydrolase
Keywords: BACE1, small-molecule inhibitor, fragment-based discovery, Alternative splicing, Aspartyl protease, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Deposited on 2008-03-07, released 2009-01-20
The last revision prior to the SCOPe 2.01 freeze date was dated 2009-01-20, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.224
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.01: d2zjna_
  • Heterogens: F1N, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2zjnA (A:)
    mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
    gaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrania
    aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
    lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
    nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
    pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
    fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >2zjnA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgsvggsmiiggidhslytgslwy
    tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksika
    asstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpvd
    cykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtld
    medcgyn