PDB entry 3wb5

View 3wb5 on RCSB PDB site
Description: Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one
Class: hydrolase
Keywords: PROTEASE 2, ASP2, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, Hydrolase
Deposited on 2013-05-13, released 2013-10-02
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-10-23, with a file datestamp of 2013-10-18.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.203
AEROSPACI score: 0.25 (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 2.04: d3wb5a_
  • Heterogens: IOD, GOL, DMS, 0B4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3wb5A (A:)
    gshmlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssn
    favgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvra
    niaaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcga
    gfplnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdc
    keynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpw
    nifpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavi
    megfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
    

    Sequence, based on observed residues (ATOM records): (download)
    >3wb5A (A:)
    fvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrqlss
    tyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
    lglayaeiarpddslepffdslvkqthvpnlfslqlcgasvggsmiiggidhslytgslw
    ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
    aasstekfpdgfwlgeqlvcwqagwnifpvislylmgevtnqsfritilpqqylrpykfa
    isqsstgtvmgavimegfyvvfdrarkrigfavsachvhdfrtaavegpfvtldmedcgy
    n