PDB entry 3msk

View 3msk on RCSB PDB site
Description: Fragment Based Discovery and Optimisation of BACE-1 Inhibitors
Class: hydrolase/hydrolase inhibitor
Keywords: PROTEASE, ALZHEIMER'S DISEASE, ASPARTIC PROTEASE, ASPARTYL PROTEASE, BASE, BETA-SECRETASE, GLYCOPROTEIN, HYDROLASE, MEMAPSIN 2, AMYLOID PRECURSOR PROTEIN SECRETASES, ASPARTIC ENDOPEPTIDASES, FRAGMENT-BASED DRUG DESIGN, FLUORESCENCE POLARISATION, TRANSMEMBRANE, ZYMOGEN, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2010-04-29, released 2010-07-14
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-05-25, with a file datestamp of 2011-05-20.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.225
AEROSPACI score: 0.39 (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: d3mska_
  • Heterogens: IOD, GOL, EV4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3mskA (A:)
    gpdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
    hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
    sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
    evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
    sivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
    lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
    fdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes
    

    Sequence, based on observed residues (ATOM records): (download)
    >3mskA (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslytgsl
    wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
    kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
    vedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrta
    avegpfvtldmedcgyni