PDB entry 2g94

View 2g94 on RCSB PDB site
Description: Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
Class: hydrolase
Keywords: beta secretase, Alzheimer's disease, memapsin, BACE, ASP2, Aspartic protease, drug design, protease inhibitor
Deposited on 2006-03-05, released 2006-04-25
The last revision prior to the SCOP 1.75 freeze date was dated 2006-10-31, with a file datestamp of 2007-06-04.
Experiment type: XRAY
Resolution: 1.86 Å
R-factor: 0.199
AEROSPACI score: 0.58 (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: d2g94a1
  • Chain 'B':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene: BACE1, BACE
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2g94b1
  • Chain 'C':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene: BACE1, BACE
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2g94c1
  • Chain 'D':
    Compound: Beta-secretase 1
    Species: HOMO SAPIENS
    Gene: BACE1, BACE
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.75: d2g94d1
  • Heterogens: ZPQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2g94A (A:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2g94B (B:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2g94C (C:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2g94D (D:)
    gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
    sstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
    gilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmii
    ggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrl
    pkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsf
    ritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfav
    sachvhdefrtaavegpfvtldmedcgyn