PDB entry 3hw1

View 3hw1 on RCSB PDB site
Description: Structure of Bace (beta secretase) in complex with ligand EV2
Class: hydrolase
Keywords: PROTEASE, ALZHEIMER'S DISEASE, ASPARTIC PROTEASE, ASPARTYL PROTEASE, BASE, BETA-SECRETASE, GLYCOPROTEIN, HYDROLASE, MEMAPSIN 2, Amyloid Precursor Protein Secretases, Aspartic Endopeptidases, fragment-based drug design, Fluorescence polarisation, Disulfide bond, Transmembrane, Zymogen
Deposited on 2009-06-17, released 2009-11-03
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.48 Å
R-factor: 0.226
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3hw1a_
  • Chain 'B':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered (14)
    Domains in SCOPe 2.04: d3hw1b_
  • Chain 'C':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered (14)
    Domains in SCOPe 2.04: d3hw1c_
  • Heterogens: EV2, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3hw1A (A:)
    lpretdeepeepgktgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes
    

    Sequence, based on observed residues (ATOM records): (download)
    >3hw1A (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgaggsmiiggidhslytgslw
    ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
    aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
    eddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfv
    tldmedcgyn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3hw1B (B:)
    lpretdeepeepgktgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes
    

    Sequence, based on observed residues (ATOM records): (download)
    >3hw1B (B:)
    tgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
    lsstyrdlrkgvyvpkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegil
    glayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgslwy
    tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksika
    asstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpve
    dqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpf
    vtldmedcgyn
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3hw1C (C:)
    lpretdeepeepgktgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes
    

    Sequence, based on observed residues (ATOM records): (download)
    >3hw1C (C:)
    tgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
    lsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnw
    egilglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslyt
    gslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaav
    ksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqy
    lrpveqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaav
    egpfvtldmedcgyn