PDB entry 1xn3

View 1xn3 on RCSB PDB site
Description: Crystal structure of Beta-secretase bound to a long inhibitor with additional upstream residues.
Class: hydrolase
Keywords: beta secretase, memapsin2, BACE, ASP2, Aspartic protease, Alzheimer's disease, Drug design
Deposited on 2004-10-04, released 2005-03-22
The last revision prior to the SCOP 1.75 freeze date was dated 2005-03-29, with a file datestamp of 2007-06-28.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.202
AEROSPACI score: 0.52 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene: BACE1, BACE
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1xn3a1
  • Chain 'B':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene: BACE1, BACE
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1xn3b1
  • Chain 'C':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene: BACE1, BACE
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1xn3c1
  • Chain 'D':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene: BACE1, BACE
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d1xn3d1
  • Chain 'I':
    Compound: peptidic inhibitor
    Species:
    Gene:
  • Heterogens: HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >1xn3A (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >1xn3B (B:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >1xn3C (C:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >1xn3D (D:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'I':
    No sequence available.