PDB entry 4zpg

View 4zpg on RCSB PDB site
Description: BACE1 in complex with 8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Class: Hydrolase/hydrolase inhibitor
Keywords: Alzheimer Disease, Amyloid Precursor Protein Secretases, Amyloid beta-Peptides, Aspartic Acid Endopeptidases, Binding Sites, Drug Design, Molecular, Protease Inhibitors, Structure-Activity Relationship, Hydrolase-hydrolase inhibitor complex
Deposited on 2015-05-07, released 2015-08-05
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-10-28, with a file datestamp of 2015-10-23.
Experiment type: XRAY
Resolution: 2 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1, BACE, KIAA1149
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817 (Start-404)
      • conflict (94)
      • conflict (96)
    Domains in SCOPe 2.08: d4zpga_
  • Heterogens: 4QF, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4zpgA (A:)
mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
gaaphpflhryyqrqlsstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvrania
aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn

    Sequence, based on observed residues (ATOM records): (download) 
    >4zpgA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgsvggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
vsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsacdefrtaavegpfvt
ldmedcgyn