PDB entry 5qdc

View 5qdc on RCSB PDB site
Description: Crystal structure of BACE complex with BMC019 hydrolyzed
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: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.37 (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: d5qdca_
  • 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: d5qdcb_
  • 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: d5qdcc_
  • Heterogens: GOL, E77, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5qdcA (A:)
sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
ilglayaeiarpddslepffdslvkqthvpnlfslqlcgggsmiiggidhslytgslwyt
pirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaa
sstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpvdd
cykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtld
medcgyn

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5qdcB (B:)
sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
ilglayaeiarpddslepffdslvkqthvpnlfslqlcgsvggsmiiggidhslytgslw
ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
eddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfv
tldmedcgyn

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5qdcC (C:)
sfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqls
styrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnweg
ilglayaeiarpddslepffdslvkqthvpnlfslqlcgaggsmiiggidhslytgslwy
tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksika
asstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpve
dvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaav
egpfvtldmedcgyn