PDB entry 4l7g

View 4l7g on RCSB PDB site
Description: Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1)
Class: hydrolase/hydrolase inhibitor
Keywords: Aspartic Protease, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-06-13, released 2013-09-18
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-09-18, with a file datestamp of 2013-09-13.
Experiment type: XRAY
Resolution: 1.38 Å
R-factor: 0.156
AEROSPACI score: 0.72 (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 2.04: d4l7ga_
  • Heterogens: 1W0, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4l7gA (A:)
    mgsrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryy
    qrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffing
    snwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvgg
    smiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgtt
    nlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevt
    nqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkri
    gfavsachvhdefrtaavegpfvtldmedcgynipqtdesgnshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4l7gA (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgaevlasvggsmiiggidhslyt
    gslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaav
    ksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqy
    lrpvesqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaa
    vegpfvtdcgyni