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 2.08 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 2.08: 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 2.08: 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