PDB entry 4exg

View 4exg on RCSB PDB site
Description: Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors
Class: hydrolase/hydrolase inhibitor
Keywords: BACE, BETA-SECRETASE, STATINE, INHIBITOR, ASPARTYL PROTEASE, GLYCOPROTEIN, MEMBRANE, PROTEASE, TRANSMEMBRANE, ZYMOGEN, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-04-30, released 2012-10-31
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-10-31, with a file datestamp of 2012-10-26.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.181
AEROSPACI score: 0.49 (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: d4exga_
  • Heterogens: 916, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4exgA (A:)
    vemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlsst
    yrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegil
    glayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiiggi
    dhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkk
    vfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfrit
    ilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsac
    hvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4exgA (A:)
    vemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlsst
    yrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegil
    glayaeiarpddslepffdslvkqthvpnlfslqlcgagasvggsmiiggidhslytgsl
    wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
    kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
    vedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrta
    avegpfvtldmedcgyn