PDB entry 4ivs

View 4ivs on RCSB PDB site
Description: Crystal structure of BACE1 with its inhibitor
Class: hydrolase/hydrolase inhibitor
Keywords: HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-01-23, released 2013-11-13
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-11-13, with a file datestamp of 2013-11-08.
Experiment type: XRAY
Resolution: 2.64 Å
R-factor: 0.173
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
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered mutation (114)
      • engineered mutation (116)
    Domains in SCOPe 2.04: d4ivsa_
  • Heterogens: VSI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ivsA (A:)
    mgsshhhhhhsagenlyfqgtlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtv
    gsppqtlnilvdtgssnfavgaaphpflhryyqrqlsstyrdlrkgvyvpytqgawagel
    gtdlvsiphgpnvtvraniaaitesdkffingsnwegilglayaeiarpddslepffdsl
    vkqthvpnlfslqlcgagfplnqsevlasvggsmiiggidhslytgslwytpirrewyye
    viivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaasstekfpdg
    fwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpvedvatsqddcy
    kfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtldme
    dcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ivsA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgavggsmiiggidhslytgsl
    wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
    kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
    vesqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaaveg
    pfvtldmedcgyn