PDB entry 3dm6

View 3dm6 on RCSB PDB site
Description: Beta-secretase 1 complexed with statine-based inhibitor
Class: Hydrolase
Keywords: BACE, beta-secretase, statine, inhibitor, Alternative splicing, Aspartyl protease, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Deposited on 2008-06-30, released 2008-12-16
The last revision prior to the SCOPe 2.03 freeze date was dated 2008-12-16, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.226
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817 (49-405)
      • initiating methionine (48)
    Domains in SCOPe 2.03: d3dm6a_
  • Chain 'B':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817 (49-405)
      • initiating methionine (48)
    Domains in SCOPe 2.03: d3dm6b_
  • Chain 'C':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817 (49-405)
      • initiating methionine (48)
    Domains in SCOPe 2.03: d3dm6c_
  • Heterogens: 757, IPA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3dm6A (A:)
    mrlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfa
    vgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrani
    aaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagf
    plnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdcke
    ynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwni
    fpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavime
    gfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dm6A (A:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgavggsmiiggidhslytgslw
    ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
    aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
    esqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegp
    fvtldcgyn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3dm6B (B:)
    mrlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfa
    vgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrani
    aaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagf
    plnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdcke
    ynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwni
    fpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavime
    gfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dm6B (B:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgaggsmiiggidhslytgslwy
    tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksika
    asstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpve
    sqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpf
    vtldcgyn
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3dm6C (C:)
    mrlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfa
    vgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrani
    aaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagf
    plnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdcke
    ynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwni
    fpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavime
    gfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dm6C (C:)
    sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
    styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgavggsmiiggidhslytgslw
    ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
    aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
    esqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegp
    fvtcgyn