PDB entry 3vv8

View 3vv8 on RCSB PDB site
Description: Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one
Class: hydrolase/hydrolase inhibitor
Keywords: ASPARTYL PROTEASE, BASE, BETA-SECRETASE, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-07-17, released 2012-10-24
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-09-04, with a file datestamp of 2013-08-30.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.227
AEROSPACI score: 0.29 (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): Domains in SCOPe 2.04: d3vv8a_
  • Heterogens: GOL, B02, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3vv8A (A:)
    gshmlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssn
    favgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvra
    niaaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcga
    gfplnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdc
    keynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpw
    nifpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavi
    megfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vv8A (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgslw
    ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
    aasstfpdgfwlgeqlvcwnifpvislylmgevtnqsfritilpqqylrpdcykfaisqs
    stgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn