PDB entry 3ivh

View 3ivh on RCSB PDB site
Description: Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
Class: hydrolase
Keywords: aspartyl protease, BACE-1 inhibitors, Alzheimer's disease, structure-based drug design, Disulfide bond, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Deposited on 2009-09-01, released 2010-01-05
The last revision prior to the SCOPe 2.01 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.208
AEROSPACI score: 0.48 (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 2.01: d3ivha_
  • Heterogens: 1LI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ivhA (A:)
    mrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqr
    qlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsn
    wegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsm
    iiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnl
    rlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnq
    sfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigf
    avsachvhdefrtaavegpfvtldmedcgynipqtdesrshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ivhA (A:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgagqsevlasvggsmiiggidh
    slytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvf
    eaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritil
    pqqylrpveddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrt
    aavegpfvtldmedcgyni