PDB entry 3s2o

View 3s2o on RCSB PDB site
Description: Fragment based discovery and optimisation of bace-1 inhibitors
Class: hydrolase/hydrolase inhibitor
Keywords: PROTEASE, ALZHEIMER'S DISEASE, ASPARTIC PROTEASE, ASPARTYL PROTEASE, BASE, BETA-SECRETASE, GLYCOPROTEIN, MEMAPSIN 2, AMYLOID PRECURSOR PROTEIN SECRETASES, ASPARTIC ENDOPEPTIDASES, FRAGMENT-BASED DRUG DESIGN, FLUORESCENCE POLARISATION, TRANSMEMBRANE, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-05-17, released 2011-06-01
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-09-07, with a file datestamp of 2011-09-02.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.208
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]
    Gene: BACE, BACE1, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3s2oa_
  • Heterogens: EV6, IOD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3s2oA (A:)
gpdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
sivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
fdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes

    Sequence, based on observed residues (ATOM records): (download) 
    >3s2oA (A:)
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
vedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrta
avegpfvtldmedcgyni