PDB entry 4ke1

View 4ke1 on RCSB PDB site
Description: Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19
Class: hydrolase/hydrolase inhibitor
Keywords: Alzheimer's disease, aspartic protease, amyloid precursor protein (APP), HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-04-25, released 2013-07-03
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-07-17, with a file datestamp of 2013-07-12.
Experiment type: XRAY
Resolution: 1.91 Å
R-factor: 0.217
AEROSPACI score: 0.45 (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: d4ke1a_
  • Heterogens: IOD, 1R6, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ke1A (A:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ke1A (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslytgsl
    wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
    kaasstekfpdgfwtpwnifpvislylmgevtnqsfritilpqqylrpvykfaisqsstg
    tvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn