PDB entry 2zjh

View 2zjh on RCSB PDB site
Description: Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
Class: hydrolase
Keywords: BACE1, small-molecule inhibitor, Aspartyl protease, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Deposited on 2008-03-07, released 2009-01-20
The last revision prior to the SCOPe 2.08 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.229
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):
    • Uniprot P56817 (Start-404)
      • engineered (351)
    Domains in SCOPe 2.08: d2zjha_
  • Heterogens: F1H, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2zjhA (A:)
mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
gaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrania
aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtcmgavimeg
fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn

    Sequence, based on observed residues (ATOM records): (download) 
    >2zjhA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgavggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvfpvislylmgevtnqsfritilpqqylrpvykfaisqsst
gtcmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn