PDB entry 4n00

View 4n00 on RCSB PDB site
Description: Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS
Class: hydrolase/hydrolase inhibitor
Keywords: Aspartyl protease, hydrolase-hydrolase inhibitor complex
Deposited on 2013-09-30, released 2014-05-14
The last revision prior to the SCOPe 2.04 freeze date was dated 2014-05-14, with a file datestamp of 2014-05-09.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.198
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 2.04: d4n00a_
  • Heterogens: NI, 2EX, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4n00A (A:)
    mrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqr
    qlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsn
    wegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsm
    iiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnl
    rlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnq
    sfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigf
    avsachvhdefrtaavegpfvtldmedcgynipqtdesrshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4n00A (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgsevlasvggsmiiggidhslyt
    gslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaav
    ksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqy
    lrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdef
    rtaavegpfvtldmedcgynipqtdesrshhhh