PDB entry 4b05

View 4b05 on RCSB PDB site
Description: Preclinical characterization of AZD3839, a novel clinical candidate BACE1 inhibitor for the treatment of Alzheimer Disease
Class: hydrolase
Keywords: hydrolase, aminoisoindole, alzheimer's disease
Deposited on 2012-06-28, released 2012-10-17
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-12-19, with a file datestamp of 2012-12-14.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.1796
AEROSPACI score: 0.52 (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):
    • Uniprot P56817 (19-End)
      • engineered mutation (14)
    Domains in SCOPe 2.06: d4b05a_
  • Heterogens: ACT, NA, 32D, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4b05A (A:)
lpretdeepeepgkkgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes

    Sequence, based on observed residues (ATOM records): (download) 
    >4b05A (A:)
kgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
lsstyrdlrkgvyvpyqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgggsmiiggidhslytgslwy
tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksika
asstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpve
dvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachdefrtaaveg
pfvtlmedcgy