PDB entry 4j0p

View 4j0p on RCSB PDB site
Description: CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Class: hydrolase/hydrolase inhibitor
Keywords: protease inhibitor, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-01-31, released 2013-12-25
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-12-25, with a file datestamp of 2013-12-20.
Experiment type: XRAY
Resolution: 1.97 Å
R-factor: 0.178
AEROSPACI score: 0.39 (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):
    • Uniprot P56817
      • engineered mutation (261)
    Domains in SCOPe 2.05: d4j0pa_
  • Heterogens: NA, DMS, 1H8, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4j0pA (A:)
etdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
sivdsgttnlrlpkkvfeaavasikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
fdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest

    Sequence, based on observed residues (ATOM records): (download) 
    >4j0pA (A:)
rgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
lsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnw
egilglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytg
slwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaava
sikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqyl
rpvedvqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaa
vegpfvtldmedcgyn