PDB entry 3exo

View 3exo on RCSB PDB site
Description: Crystal structure of BACE1 bound to inhibitor
Class: hydrolase
Keywords: beta secretase, bace 1, aspartyl protease, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Deposited on 2008-10-16, released 2009-02-03
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.232
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1, BACE, KIAA1149
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered (94)
      • engineered (96)
    Domains in SCOPe 2.04: d3exoa_
  • Heterogens: SO4, GOL, 5MS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3exoA (A:)
    mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
    gaaphpflhryyqrqlsstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvrania
    aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
    lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
    nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
    pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
    fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >3exoA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgs
    lwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavks
    ikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylr
    pvsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaaveg
    pfvtldmedcgyn