PDB entry 3hw1

View 3hw1 on RCSB PDB site
Description: Structure of Bace (beta secretase) in complex with ligand EV2
Class: hydrolase
Keywords: PROTEASE, ALZHEIMER'S DISEASE, ASPARTIC PROTEASE, ASPARTYL PROTEASE, BASE, BETA-SECRETASE, GLYCOPROTEIN, HYDROLASE, MEMAPSIN 2, Amyloid Precursor Protein Secretases, Aspartic Endopeptidases, fragment-based drug design, Fluorescence polarisation, Disulfide bond, Transmembrane, Zymogen
Deposited on 2009-06-17, released 2009-11-03
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.48 Å
R-factor: 0.226
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d3hw1a_
  • Chain 'B':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered (14)
    Domains in SCOPe 2.03: d3hw1b_
  • Chain 'C':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered (14)
    Domains in SCOPe 2.03: d3hw1c_
  • Heterogens: EV2, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3hw1A (A:)
lpretdeepeepgktgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes

    Sequence, based on observed residues (ATOM records): (download) 
    >3hw1A (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgaggsmiiggidhslytgslw
ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
eddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfv
tldmedcgyn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3hw1B (B:)
lpretdeepeepgktgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes

    Sequence, based on observed residues (ATOM records): (download) 
    >3hw1B (B:)
tgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
lsstyrdlrkgvyvpkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegil
glayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgslwy
tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksika
asstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpve
dqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpf
vtldmedcgyn

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3hw1C (C:)
lpretdeepeepgktgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavg
aaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaa
itesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfpl
nqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeyn
ydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifp
vislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegf
yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdes

    Sequence, based on observed residues (ATOM records): (download) 
    >3hw1C (C:)
tgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
lsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnw
egilglayaeiarpddslepffdslvkqthvpnlfslqlcgaasvggsmiiggidhslyt
gslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaav
ksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqy
lrpveqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaav
egpfvtldmedcgyn