PDB entry 4b1e

View 4b1e on RCSB PDB site
Description: New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
Class: hydrolase
Keywords: hydrolase, structure-based drug design
Deposited on 2012-07-10, released 2012-10-10
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-11-21, with a file datestamp of 2012-11-16.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.1916
AEROSPACI score: 0.44 (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): Domains in SCOPe 2.04: d4b1ea_
  • Heterogens: 6T6, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4b1eA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgy
    

    Sequence, based on observed residues (ATOM records): (download)
    >4b1eA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgaggsmiiggidhslytgslw
    ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
    aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
    edvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaa
    vegpfvtldmedcgy