PDB entry 2vnn

View 2vnn on RCSB PDB site
Description: human bace-1 in complex with 7-ethyl-n-((1s,2r)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino) propyl)-1-methyl-3,4-dihydro-1h-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2-dioxide
Class: hydrolase
Keywords: hydrolase, alternative splicing, beta-site app cleaving enzyme, beta-secretase, aspartyl protease, asp-2, bace-1, zymogen, protease, membrane, memapsin-2, glycoprotein, transmembrane
Deposited on 2008-02-05, released 2008-05-20
The last revision prior to the SCOPe 2.03 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 1.87 Å
R-factor: 0.174
AEROSPACI score: 0.5 (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: d2vnna_
  • Heterogens: CM7, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >2vnnA (A:)
    emvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlssty
    rdlrkgvyvpytqgkwegelgtdlvsiphgpqvtvraniaaitesdkffiqgsnwegilg
    layaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgslwyt
    pirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaa
    sstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtqqsfritilpqqylrpved
    vatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaave
    gpfvtldmedcgyni