PDB entry 2xfi

View 2xfi on RCSB PDB site
Description: human bace-1 in complex with n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide
Class: hydrolase
Keywords: hydrolase, protease, zymogen
Deposited on 2010-05-24, released 2010-07-07
The last revision prior to the SCOPe 2.03 freeze date was dated 2010-07-28, with a file datestamp of 2010-07-23.
Experiment type: XRAY
Resolution: 1.73 Å
R-factor: 0.17182
AEROSPACI score: 0.55 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered mutation (92)
      • engineered mutation (111)
      • engineered mutation (293)
    Domains in SCOPe 2.03: d2xfia_
  • Heterogens: XFI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2xfiA (A:)
    vemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlsst
    yrdlrkgvyvpytqgkwegelgtdlvsiphgpqvtvraniaaitesdkffiqgsnwegil
    glayaeiarpddslepffdslvkqthvpnlfslqlcgagfplqqsevlasvggsmiiggi
    dhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkk
    vfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtqqsfrit
    ilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsac
    hvhdefrtaavegpfvtldmedcgynipqtde
    

    Sequence, based on observed residues (ATOM records): (download)
    >2xfiA (A:)
    emvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlssty
    rdlrkgvyvpytqgkwegelgtdlvsiphgpqvtvraniaaitesdkffiqgsnwegilg
    layaeiarpddslepffdslvkqthvpnlfslqlcsvggsmiiggidhslytgslwytpi
    rrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaass
    tekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtqqsfritilpqqylrpvedva
    tsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegp
    fvtldmedcgyni