PDB entry 4rce

View 4rce on RCSB PDB site
Description: Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2
Class: Hydrolase/Hydrolase inhibitor
Keywords: aspartic protease, Alzheimer's disease, APP, amyloid precursor protein, brain, Hydrolase-Hydrolase inhibitor complex
Deposited on 2014-09-15, released 2014-12-24
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-01-14, with a file datestamp of 2015-01-09.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.202
AEROSPACI score: 0.27 (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: d4rcea_
  • Heterogens: 3LN, IOD, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4rceA (A:)
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvcwqwnifpvislylmgevtnqsfritilpqqylrpvdcyk
faisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmed
cgyn