PDB entry 2zjl

View 2zjl on RCSB PDB site
Description: Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Class: hydrolase
Keywords: BACE1, small-molecule inhibitor, Tethering, 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 2.04 freeze date was dated 2009-01-20, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.26
AEROSPACI score: 0.35 (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):
    • Uniprot P56817 (Start-404)
      • engineered (351)
    Domains in SCOPe 2.04: d2zjla_
  • Heterogens: F1L, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >2zjlA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpykwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegil
    glayaeiarpddslepffdslvkqthvpnlfslqlcgvggsmiiggidhslytgslwytp
    irrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaas
    sgfwlgeqlpvislylmgevtnqsfritilpqqylrpvykfaisqsstgtcmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn