PDB entry 4fm8

View 4fm8 on RCSB PDB site
Description: Crystal Structure of BACE with Compound 12a
Class: hydrolase/hydrolase inhibitor
Keywords: aspartyl protease, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-06-15, released 2012-10-03
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-06-19, with a file datestamp of 2013-06-14.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.201
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: BACE1, BACE, KIAA1149
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817 (Start-395)
      • expression tag (396-401)
    Domains in SCOPe 2.04: d4fm8a_
  • Heterogens: 0UQ, ZN, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4fm8A (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgynipqtdesrshhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4fm8A (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgasevlasvggsmiiggidhsly
    tgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaa
    vksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqq
    ylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhde
    frtaavegpfvtldmedcgynipqtdesrshhhh