PDB entry 4djx

View 4djx on RCSB PDB site
Description: Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
Class: hydrolase/hydrolase inhibitor
Keywords: BACE1, Alzheimers, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-02-02, released 2012-03-21
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-04-04, with a file datestamp of 2012-03-30.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: 0.187
AEROSPACI score: 0.62 (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: d4djxa_
  • 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: d4djxb_
  • Heterogens: 0KQ, TLA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4djxA (A:)
    lrlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfa
    vgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrani
    aaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagf
    plnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdcke
    ynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwni
    fpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavime
    gfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4djxA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyni
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4djxB (B:)
    lrlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfa
    vgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrani
    aaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagf
    plnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdcke
    ynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwni
    fpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavime
    gfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4djxB (B:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn