PDB entry 2wf3

View 2wf3 on RCSB PDB site
Description: human bace-1 in complex with 6-(ethylamino)-n-((1s,2r)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide
Class: hydrolase
Keywords: hydrolase, memapsin-2, polymorphism, glycoprotein, asp-2, bace-1, zymogen, protease, membrane, transmembrane, beta-secretase, disulfide bond, aspartyl protease, alternative splicing, beta-site app cleaving enzyme
Deposited on 2009-04-02, released 2009-05-19
The last revision prior to the SCOPe 2.03 freeze date was dated 2009-06-23, with a file datestamp of 2009-06-19.
Experiment type: XRAY
Resolution: 2.08 Å
R-factor: 0.16634
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered mutation (92)
      • engineered mutation (111)
      • engineered mutation (293)
    Domains in SCOPe 2.03: d2wf3a_
  • Heterogens: ZY3, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2wf3A (A:)
vemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlsst
yrdlrkgvyvpytqgkwegelgtdlvsiphgpqvtvraniaaitesdkffiqgsnwegil
glayaeiarpddslepffdslvkqthvpnlfslqlcgagfplqqsevlasvggsmiiggi
dhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkk
vfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtqqsfrit
ilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsac
hvhdefrtaavegpfvtldmedcgynipqtde

    Sequence, based on observed residues (ATOM records): (download) 
    >2wf3A (A:)
emvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlssty
rdlrkgvyvpytqgkwegelgtdlvsiphgpqvtvraniaaitesdkffiqgsnwegilg
layaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgslwyt
pirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaa
sstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtqqsfritilpqqylrpved
vatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaave
gpfvtldmedcgyni