PDB entry 3bug

View 3bug on RCSB PDB site
Description: BACE-1 complexed with compound 3
Class: hydrolase
Keywords: alzheimer's disease, aspartic protease, beta-secretase, memapsin 2, fragment screen, alternative splicing, aspartyl protease, glycoprotein, hydrolase, membrane, transmembrane, zymogen
Deposited on 2008-01-02, released 2008-03-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2009-02-24, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.226
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered (261)
    Domains in SCOPe 2.08: d3buga_
  • Heterogens: AEH, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3bugA (A:)
etdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
sivdsgttnlrlpkkvfeaavasikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
fdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest

    Sequence, based on observed residues (ATOM records): (download) 
    >3bugA (A:)
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgsvggsmiiggidhslytgslwy
tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavasika
asstefpdgfwlgeqlvcwpwnifpvislylmgevtnqsfritilpqqylrpvdcykfai
sqsstgtvmgavimegfyvvfdrarkrigfavsachrtaavegpfvtldmedcgyni