PDB entry 5ygy

View 5ygy on RCSB PDB site
Description: Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide
Class: hydrolase/inhibitor
Keywords: beta-site amyloid precursor protein cleaving enzyme 1, HYDROLASE-INHIBITOR complex
Deposited on 2017-09-27, released 2018-05-23
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-05-23, with a file datestamp of 2018-05-18.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.24 (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 2.07: d5ygya_
  • Heterogens: 0B6, IOD, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5ygyA (A:)
    gshmlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssn
    favgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvra
    niaaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcga
    gfplnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdc
    keynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpw
    nifpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavi
    megfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >5ygyA (A:)
    grrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyq
    rqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffings
    nwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhsly
    tgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaa
    vksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqq
    ylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhde
    frtaavegpfvtldmedcgyn