PDB entry 4b0q

View 4b0q on RCSB PDB site
Description: Lead Generation of BACE1 Inhibitors by Coupling Non-amidine New Warheads to a Known Binding Scaffold
Class: hydrolase
Keywords: hydrolase, bace1 inhibitors, lead generation, structure-based drug design
Deposited on 2012-07-04, released 2013-07-24
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-07-24, with a file datestamp of 2013-07-19.
Experiment type: XRAY
Resolution: 1.87 Å
R-factor: 0.1797
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]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4b0qa_
  • Heterogens: GMF, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4b0qA (A:)
    emvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlssty
    rdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegilg
    layaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiiggid
    hslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkv
    feaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfriti
    lpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsach
    vhdefrtaavegpfvtldmedcgy
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b0qA (A:)
    emvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlssty
    rdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegilg
    layaeiarpddslepffdslvkqthvpnlfslqlcgvggsmiiggidhslytgslwytpi
    rrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaass
    tekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpvedva
    tsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegp
    fvtledcgy