PDB entry 4gmi

View 4gmi on RCSB PDB site
Description: BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571
Class: Hydrolase/Hydrolase inhibitor
Keywords: BACE-1, ASP2, BACE, Macrocycle, Hydrolase, Hydrolase-Hydrolase inhibitor complex
Deposited on 2012-08-16, released 2013-09-04
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-09-04, with a file datestamp of 2013-08-30.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.161
AEROSPACI score: 0.52 (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: d4gmia_
  • Heterogens: 0XA, ACT, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4gmiA (A:)
    mrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqr
    qlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsn
    wegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsm
    iiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnl
    rlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnq
    sfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigf
    avsachvhdefrtaavegpfvtldmedcgyn
    

    Sequence, based on observed residues (ATOM records): (download)
    >4gmiA (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgalasvggsmiiggidhslyt
    gslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaav
    ksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqy
    lrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdef
    rtaavegpfvtldmedcgyn