PDB entry 4b78

View 4b78 on RCSB PDB site
Description: Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Class: hydrolase
Keywords: hydrolase, hydrolase inhibitor, lead generation, structure-based drug design
Deposited on 2012-08-16, released 2013-06-26
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-07-03, with a file datestamp of 2013-06-28.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: 0.20762
AEROSPACI score: 0.6 (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: d4b78a_
  • Heterogens: KGG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4b78A (A:)
    emvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlssty
    rdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegilg
    layaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiiggid
    hslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkv
    feaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfriti
    lpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsach
    vhdefrtaavegpfvtldmedcgy
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b78A (A:)
    emvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlssty
    rdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegilg
    layaeiarpddslepffdslvkqthvpnlfslqlcgavggsmiiggidhslytgslwytp
    irrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaas
    stekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpvedv
    atsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaaveg
    pfvtldmedcgy