PDB entry 5fpp

View 5fpp on RCSB PDB site
Description: Structure of a pre-reaction ternary complex between sarin- acetylcholinesterase and HI-6
Class: hydrolase
Keywords: hydrolase, sarin, hi-6, qm, density functional theory calculations, michaelis complex.
Deposited on 2015-12-02, released 2016-05-11
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-06-01, with a file datestamp of 2016-05-27.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: acetylcholinesterase
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P21836 (0-542)
      • expression tag (543-547)
    Domains in SCOPe 2.07: d5fppa1, d5fppa2
  • Chain 'B':
    Compound: acetylcholinesterase
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P21836 (Start-542)
      • expression tag (543)
    Domains in SCOPe 2.07: d5fppb1, d5fppb2
  • Heterogens: NAG, CO3, P6G, AE3, HI6, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5fppA (A:)
    egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
    dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
    ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
    qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
    agearrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfv
    pvvdgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqfl
    agvrigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaa
    qgarvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkyw
    tnfartgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkll
    satateap
    

    Sequence, based on observed residues (ATOM records): (download)
    >5fppA (A:)
    egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
    dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
    ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
    qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
    agearrratllarlvgcndteliaclrtrpaqdlvdhewhvlpqesifrfsfvpvvdgdf
    lsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqflagvrigv
    pqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaaqgarvya
    yifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkywtnfartg
    dpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkllsatatea
    p
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5fppB (B:)
    egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
    dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
    ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
    qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
    agearrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfv
    pvvdgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqfl
    agvrigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaa
    qgarvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkyw
    tnfartgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkll
    satateap
    

    Sequence, based on observed residues (ATOM records): (download)
    >5fppB (B:)
    dpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvldatt
    fqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiygggfy
    sgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlalqwvq
    eniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvsagea
    rrratllarlvgcndteliaclrtrpaqdlvdhewhvlpqesifrfsfvpvvdgdflsdt
    pealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqflagvrigvpqas
    dlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaaqgarvyayife
    hrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkywtnfartgdpnd
    prdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkllsata