PDB entry 4dpi

View 4dpi on RCSB PDB site
Description: BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512
Class: Hydrolase/Hydrolase inhibitor
Keywords: BACE1, ASP2, BACE, macrocycle, Hydrolase-Hydrolase inhibitor complex
Deposited on 2012-02-13, released 2012-07-11
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-01-02, with a file datestamp of 2012-12-28.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.174
AEROSPACI score: 0.48 (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): Domains in SCOPe 2.04: d4dpia_
  • Heterogens: 0N1, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4dpiA (A:)
    mrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqr
    qlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsn
    wegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsm
    iiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnl
    rlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnq
    sfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigf
    avsachvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4dpiA (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgvggsmiiggidhslytgslwyt
    pirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaa
    sstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpved
    vatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachhdefrtaaveg
    pfvtldmedcgyn