PDB entry 4d85

View 4d85 on RCSB PDB site
Description: Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151
Class: Hydrolase/Hydrolase inhibitor
Keywords: Beta-Secretase, Memapsin2, Bace1, Aspartic Proteinase, Alzheimer's disease, Enzyme inhibitor complex, Structure-based drug design, Hydrolase, Hydrolase-Hydrolase inhibitor complex
Deposited on 2012-01-10, released 2012-11-21
The last revision prior to the SCOPe 2.08 freeze date was dated 2012-11-21, with a file datestamp of 2012-11-16.
Experiment type: XRAY
Resolution: 2.65 Å
R-factor: 0.209
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: BACE, BACE1, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4d85a_
  • Heterogens: 0GU, IOD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4d85A (A:)
gpdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
sivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
fdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes

    Sequence, based on observed residues (ATOM records): (download) 
    >4d85A (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslytg
slwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavk
sikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqyl
rpvedddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaave
gpfvtldmedcgyn