PDB entry 3ckr

View 3ckr on RCSB PDB site
Description: Crystal structure of BACE-1 in complex with inhibitor
Class: hydrolase
Keywords: beta-secretase, aspartyl protease, Alternative splicing, Glycoprotein, Hydrolase, Membrane, Transmembrane, Zymogen
Deposited on 2008-03-16, released 2008-06-03
The last revision prior to the SCOP 1.75 freeze date was dated 2008-06-03, with a file datestamp of 2008-05-30.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.251
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered (13-14)
    Domains in SCOP 1.75: d3ckra1
  • Chain 'B':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene:
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d3ckrb1
  • Chain 'C':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered (14)
    Domains in SCOP 1.75: d3ckrc1
  • Heterogens: 009, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ckrA (A:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ckrA (A:)
    kkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqr
    qlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsn
    wegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagasvggsmiiggidhsl
    ytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfea
    avksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpq
    qylrpvesqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrt
    aavegpfvtldmedcgyni
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ckrB (B:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ckrB (B:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgslw
    ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
    aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
    edvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaa
    vegpfvtldmedcgyni
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ckrC (C:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ckrC (C:)
    kgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
    lsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnw
    egilglayaeiarpddslepffdslvkqthvpnlfslqlcgsvggsmiiggidhslytgs
    lwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavks
    ikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylr
    pveatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaa
    vegpfvtldmedcgyni