PDB entry 4frj

View 4frj on RCSB PDB site
Description: Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l
Class: hydrolase/inhibitor
Keywords: membrane protein, Alzheimer's disease, aspartic protease, HYDROLASE-INHIBITOR complex
Deposited on 2012-06-26, released 2012-09-12
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-12-12, with a file datestamp of 2012-12-07.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.188
AEROSPACI score: 0.47 (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 2.04: d4frja_
  • Heterogens: IOD, DWB, GOL, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4frjA (A:)
    lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
    aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
    itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
    nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
    ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
    vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
    yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes
    

    Sequence, based on observed residues (ATOM records): (download)
    >4frjA (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgavlasvggsmiiggidhslytg
    slwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavk
    sikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqyl
    rpveddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaaveg
    pfvtldmedcgyn