PDB entry 4fri

View 4fri on RCSB PDB site
Description: Crystal structure of BACE1 in complex with biarylspiro aminooxazoline 6
Class: hydrolase/inhibitor
Keywords: membrane protein, Alzheimer's disease, aspartic protease, HYDROLASE-INHIBITOR complex
Deposited on 2012-06-26, released 2012-09-12
The last revision prior to the SCOPe 2.08 freeze date was dated 2012-12-12, with a file datestamp of 2012-12-07.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.201
AEROSPACI score: 0.37 (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: d4fria_
  • Heterogens: IOD, DWA, DMS, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4friA (A:)
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
veddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpf
vtldmedcgyni