PDB entry 2zjm

View 2zjm on RCSB PDB site
Description: Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
Class: hydrolase
Keywords: BACE, small-molecule inhibitor, fragment-based discovery, Alternative splicing, Aspartyl protease, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Deposited on 2008-03-07, released 2009-01-20
The last revision prior to the SCOPe 2.05 freeze date was dated 2009-01-20, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.208
AEROSPACI score: 0.46 (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 (Start-404)
      • engineered (94)
      • engineered (96)
    Domains in SCOPe 2.05: d2zjma_
  • Heterogens: F1M, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2zjmA (A:)
mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
gaaphpflhryyqrqlsstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvrania
aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn

    Sequence, based on observed residues (ATOM records): (download) 
    >2zjmA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgavggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
vedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrta
avegpfvtldmedcgyn