PDB entry 3ixj

View 3ixj on RCSB PDB site
Description: Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor
Class: hydrolase/hydrolase inhibitor
Keywords: BACE, BETA SECRETASE-1, INHIBITOR, ALTERNATIVE SPLICING, ASPARTYL PROTEASE, GLYCOPROTEIN, HYDROLASE, MEMBRANE, PROTEASE, TRANSMEMBRANE, ZYMOGEN, Disulfide bond, Polymorphism, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Deposited on 2009-09-04, released 2010-03-02
The last revision prior to the SCOPe 2.04 freeze date was dated 2010-03-02, with a file datestamp of 2010-02-26.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.213
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE, BACE1, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3ixja_
  • Chain 'B':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE, BACE1, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3ixjb_
  • Chain 'C':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE, BACE1, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3ixjc_
  • Heterogens: 586, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ixjA (A:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiig
    gidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlp
    kkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfr
    itilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavs
    achvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ixjA (A:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgsl
    wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
    kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
    vesqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaaveg
    pfvtldmedcgyn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ixjB (B:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiig
    gidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlp
    kkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfr
    itilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavs
    achvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ixjB (B:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgsl
    wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
    kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
    vesqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaaveg
    pfvtldmedcgyn
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ixjC (C:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiig
    gidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlp
    kkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfr
    itilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavs
    achvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ixjC (C:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgsl
    wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
    kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
    veddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpf
    vtldmedcgyn