PDB entry 3tpp

View 3tpp on RCSB PDB site
Description: Crystal structure of BACE1 complexed with an inhibitor
Class: hydrolase/hydrolase inhibitor
Keywords: MEMAPSIN 2, PROTEASE, BACE1, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-09-08, released 2011-11-23
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-06-13, with a file datestamp of 2012-06-08.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.155
AEROSPACI score: 0.62 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: BACE, BACE1, KIAA1149
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56817
      • engineered mutation (114)
      • engineered mutation (116)
    Domains in SCOPe 2.04: d3tppa_
  • Heterogens: 5HA, CL, URE, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3tppA (A:)
    mgsshhhhhhsagenlyfqgtlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtv
    gsppqtlnilvdtgssnfavgaaphpflhryyqrqlsstyrdlrkgvyvpytqgawagel
    gtdlvsiphgpnvtvraniaaitesdkffingsnwegilglayaeiarpddslepffdsl
    vkqthvpnlfslqlcgagfplnqsevlasvggsmiiggidhslytgslwytpirrewyye
    viivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaasstekfpdg
    fwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpvedvatsqddcy
    kfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtldme
    dcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >3tppA (A:)
    rgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
    lsstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvraniaaitesdkffingsnw
    egilglayaeiarpddslepffdslvkqthvpnlfslqlcgavggsmiiggidhslytgs
    lwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavks
    ikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylr
    pvetsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaav
    egpfvtldmedcgyn