PDB entry 5qcu

View 5qcu on RCSB PDB site
Description: Crystal structure of BACE complex with BMC022
Class: hydrolase
Keywords: Hydroloase, D3R, BACE, Ligand Docking, Hydrolase
Deposited on 2017-12-01, released 2020-06-03
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-02-10, with a file datestamp of 2021-02-05.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: N/A
AEROSPACI score: 0.41 (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: d5qcua_
  • 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: d5qcub_
  • Chain 'C':
    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: d5qcuc_
  • Heterogens: E51, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5qcuA (A:)
gpdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
sivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
fdrarkrigfavsachvhdefrtaavegpfvtldmedcgyni

    Sequence, based on observed residues (ATOM records): (download) 
    >5qcuA (A:)
sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
ilglayaeiarpddslepffdslvkqthvpnlfslqlcgavggsmiiggidhslytgslw
ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
edvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaa
vegpfvtldmedcgyn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5qcuB (B:)
gpdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
sivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
fdrarkrigfavsachvhdefrtaavegpfvtldmedcgyni

    Sequence, based on observed residues (ATOM records): (download) 
    >5qcuB (B:)
sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
ilglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
vedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrta
avegpfvtldmedcgyn

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5qcuC (C:)
gpdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
sivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
fdrarkrigfavsachvhdefrtaavegpfvtldmedcgyni

    Sequence, based on observed residues (ATOM records): (download) 
    >5qcuC (C:)
sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
ilglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgsl
wytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksi
kaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrp
vedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrta
avegpfvtldmedcgyn