PDB entry 6jt4

View 6jt4 on RCSB PDB site
Description: Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Class: hydrolase
Keywords: GS-hBACE1(43-454), HYDROLASE
Deposited on 2019-04-08, released 2020-01-15
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-01-15, with a file datestamp of 2020-01-10.
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 2.08: d6jt4a_
  • Heterogens: C86, IOD, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6jt4A (A:)
    gshmlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssn
    favgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvra
    niaaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcga
    gfplnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdc
    keynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpw
    nifpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavi
    megfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >6jt4A (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
    ilglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslytgs
    lwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavks
    ikaasstekfpdgfwlgeqlvcwwnifpvislylmgevtnqsfritilpqqylrpvedva
    tsdcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfv
    tldmedcgyn