PDB entry 4l7h

View 4l7h on RCSB PDB site
Description: Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
Class: hydrolase/hydrolase inhibitor
Keywords: Aspartic Protease, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-06-13, released 2013-09-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-09-18, with a file datestamp of 2013-09-13.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: 0.189
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1, BACE, KIAA1149
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4l7ha_
  • Heterogens: 1W1, ACT, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4l7hA (A:)
mgsrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryy
qrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffing
snwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvgg
smiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgtt
nlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevt
nqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkri
gfavsachvhdefrtaavegpfvtldmedcgynipqtdesgnshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4l7hA (A:)
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgaevlasvggsmiiggidhslyt
gslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaav
ksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqy
lrpvddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaaveg
pfvtldmedcgyni