PDB entry 5ygx

View 5ygx on RCSB PDB site
Description: Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Class: hydrolase/inhibitor
Keywords: beta secretase, HYDROLASE-INHIBITOR complex
Deposited on 2017-09-27, released 2018-08-08
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-08-08, with a file datestamp of 2018-08-03.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.26 (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: d5ygxa_
  • Heterogens: 0B5, IOD, GOL, DMS, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >5ygxA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgavlasvggsmiiggidhsly
    tgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaa
    vksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqq
    ylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhde
    frtaavegpfvtldmedcgyn