PDB entry 4jpe

View 4jpe on RCSB PDB site
Description: Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Class: hydrolase/hydrolase inhibitor
Keywords: aspartyl protease, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-03-19, released 2013-04-10
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-10-23, with a file datestamp of 2013-10-18.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.194
AEROSPACI score: 0.42 (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):
    • Uniprot P56817 (Start-397)
      • expression tag (398-403)
    Domains in SCOPe 2.05: d4jpea_
  • Heterogens: NI, 1M7, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4jpeA (A:)
mrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqr
qlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsn
wegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsm
iiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnl
rlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnq
sfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigf
avsachvhdefrtaavegpfvtldmedcgynipqtdesrshhhhhh

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