PDB entry 4d89

View 4d89 on RCSB PDB site
Description: Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment
Class: Hydrolase/Hydrolase inhibitor
Keywords: Beta-Secretase, Memapsin2, Bace1, Aspartic Proteinase, Alzheimer's disease, Enzyme inhibitor complex, Structure-based drug design, Hydrolase, Hydrolase-Hydrolase inhibitor complex
Deposited on 2012-01-10, released 2012-11-21
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-11-21, with a file datestamp of 2012-11-16.
Experiment type: XRAY
Resolution: 1.65 Å
R-factor: 0.189
AEROSPACI score: 0.56 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE, BACE1, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4d89a_
  • Heterogens: BXD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4d89A (A:)
    gpdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
    hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
    sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
    evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
    sivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
    lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
    fdrarkrigfavsachvhdefrtaavegpfvtldmedcgyni
    

    Sequence, based on observed residues (ATOM records): (download)
    >4d89A (A:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgaggsmiiggidhslytgslwy
    tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksika
    asstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpve
    dvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaav
    egpfvtldmedcgyn