PDB entry 5kqf

View 5kqf on RCSB PDB site
Description: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1
Class: hydrolase/hydrolase inhibitor
Keywords: BACE-1, small molecule inhibitor, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2016-07-06, released 2016-09-07
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-10-05, with a file datestamp of 2016-09-30.
Experiment type: XRAY
Resolution: 1.98 Å
R-factor: N/A
AEROSPACI score: 0.32 (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 2.07: d5kqfa_
  • Heterogens: 6WD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5kqfA (A:)
masmtggqqmgrgsagvlpahgtqhgirlplrsglggaplglrlpretdeepeepgrrgs
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiigg
idhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpk
kvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfri
tilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsa
chvhdefrtaavegpfvtldmedcgynipqtdest

    Sequence, based on observed residues (ATOM records): (download) 
    >5kqfA (A:)
fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgvggsmiiggidhslytgslwyt
pirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaa
sstekfpdgfwlgeqlvcnifpvislylmgevtnqsfritilpqqylrpvdcykfaisqs
stgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn