PDB entry 4frs

View 4frs on RCSB PDB site
Description: Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Class: Hydrolase/Hydrolase inhibitor
Keywords: Alzheimer's, Aspartyl protease, Hydrolase, Hydrolase-Hydrolase inhibitor complex
Deposited on 2012-06-26, released 2012-08-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-06-19, with a file datestamp of 2013-06-14.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.202
AEROSPACI score: 0.53 (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: d4frsa_
  • Chain 'B':
    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: d4frsb_
  • Heterogens: 0V6, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4frsA (A:)
epgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhry
yqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffin
gsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvg
gsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgt
tnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgev
tnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkr
igfavsachvhdefrtaavegpfvtldmedcgyni

    Sequence, based on observed residues (ATOM records): (download) 
    >4frsA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
ritilpqqylrpvedsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsac
hvhdefrtaavegpfvtldmedcgyn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4frsB (B:)
epgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhry
yqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffin
gsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvg
gsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgt
tnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgev
tnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkr
igfavsachvhdefrtaavegpfvtldmedcgyni

    Sequence, based on observed residues (ATOM records): (download) 
    >4frsB (B:)
rgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
lsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnw
egilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmi
iggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlr
lpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqs
fritilpqqylrpvedsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsa
chvhdefrtaavegpfvtldmedcgyn