PDB entry 4r8y

View 4r8y on RCSB PDB site
Description: BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Class: Hydrolase/Hydrolase Inhibitor
Keywords: Aspartyl protease, Beta-site amyloid precursor protein cleaving enzyme 1, Beta-site APP cleaving enzyme 1, Hydrolase-Hydrolase Inhibitor complex
Deposited on 2014-09-03, released 2014-11-05
The last revision prior to the SCOPe 2.04 freeze date was dated 2014-12-17, with a file datestamp of 2014-12-12.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.176
AEROSPACI score: 0.41 (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: d4r8ya_
  • 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: d4r8yb_
  • Heterogens: 3KO, TLA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4r8yA (A:)
    lrlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfa
    vgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrani
    aaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagf
    plnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdcke
    ynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwni
    fpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavime
    gfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4r8yA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsac
    hvhdefrtaavegpfvtldmedcgyni
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4r8yB (B:)
    lrlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfa
    vgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrani
    aaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagf
    plnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdcke
    ynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwni
    fpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavime
    gfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4r8yB (B:)
    rgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
    lsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnw
    egilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmi
    iggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlr
    lpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqs
    fritilpqqylrpvedsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsa
    chvhdefrtaavegpfvtldmedcgyn