PDB entry 3ixk

View 3ixk on RCSB PDB site
Description: Potent beta-secretase 1 inhibitor
Class: hydrolase
Keywords: BACE, beta-secretase, statine, inhibitor, aspartyl protease, glycoprotein, hydrolase, membrane, protease, transmembrane, ZYMOGEN, Disulfide bond
Deposited on 2009-09-04, released 2010-09-08
The last revision prior to the SCOPe 2.04 freeze date was dated 2010-09-08, with a file datestamp of 2010-09-03.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.232
AEROSPACI score: 0.28 (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: d3ixka_
  • Chain 'B':
    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: d3ixkb_
  • Chain 'C':
    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: d3ixkc_
  • Heterogens: 929, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ixkA (A:)
    rlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
    gaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrania
    aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
    lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
    nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
    pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
    fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
    

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

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ixkB (B:)
    rlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
    gaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrania
    aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
    lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
    nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
    pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
    fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
    

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

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ixkC (C:)
    rlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
    gaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrania
    aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
    lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
    nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
    pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
    fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
    

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