PDB entry 4ey5

View 4ey5 on RCSB PDB site
Description: Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A
Class: hydrolase/hydrolase inhibitor
Keywords: acetylcholinesterase, hydrolase, huperzine A, inhibitor, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2012-05-01, released 2012-10-17
The last revision prior to the SCOPe 2.02 freeze date was dated 2012-12-12, with a file datestamp of 2012-12-07.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.177
AEROSPACI score: 0.4 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: acetylcholinesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: ACHE
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.02: d4ey5a_
  • Chain 'B':
    Compound: acetylcholinesterase
    Species: Homo sapiens [TaxId:9606]
    Gene: ACHE
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.02: d4ey5b_
  • Heterogens: HUP, DMS, EDO, NAG, NO3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ey5A (A:)
    gredaellvtvrggrlrgirlktpggpvsaflgipfaeppmgprrflppepkqpwsgvvd
    attfqsvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprptsptpvlvwiygg
    gfysgassldvydgrflvqaertvlvsmnyrvgafgflalpgsreapgnvglldqrlalq
    wvqenvaafggdptsvtlfgesagaasvgmhllsppsrglfhravlqsgapngpwatvgm
    gearrratqlahlvgcppggtggndtelvaclrtrpaqvlvnhewhvlpqesvfrfsfvp
    vvdgdflsdtpealinagdfhglqvlvgvvkdegsyflvygapgfskdneslisraefla
    gvrvgvpqvsdlaaeavvlhytdwlhpedparlrealsdvvgdhnvvcpvaqlagrlaaq
    garvyayvfehrastlswplwmgvphgyeiefifgipldpsrnytaeekifaqrlmrywa
    nfartgdpneprdpkapqwppytagaqqyvsldlrplevrrglraqacafwnrflpklls
    at
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ey5A (A:)
    edaellvtvrggrlrgirlktpggpvsaflgipfaeppmgprrflppepkqpwsgvvdat
    tfqsvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprptsptpvlvwiygggf
    ysgassldvydgrflvqaertvlvsmnyrvgafgflalpgsreapgnvglldqrlalqwv
    qenvaafggdptsvtlfgesagaasvgmhllsppsrglfhravlqsgapngpwatvgmge
    arrratqlahlvgcpndtelvaclrtrpaqvlvnhewhvlpqesvfrfsfvpvvdgdfls
    dtpealinagdfhglqvlvgvvkdegsyflvygapgfskdneslisraeflagvrvgvpq
    vsdlaaeavvlhytdwlhpedparlrealsdvvgdhnvvcpvaqlagrlaaqgarvyayv
    fehrastlswplwmgvphgyeiefifgipldpsrnytaeekifaqrlmrywanfartgdp
    neprdpqwppytagaqqyvsldlrplevrrglraqacafwnrflpkllsa
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ey5B (B:)
    gredaellvtvrggrlrgirlktpggpvsaflgipfaeppmgprrflppepkqpwsgvvd
    attfqsvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprptsptpvlvwiygg
    gfysgassldvydgrflvqaertvlvsmnyrvgafgflalpgsreapgnvglldqrlalq
    wvqenvaafggdptsvtlfgesagaasvgmhllsppsrglfhravlqsgapngpwatvgm
    gearrratqlahlvgcppggtggndtelvaclrtrpaqvlvnhewhvlpqesvfrfsfvp
    vvdgdflsdtpealinagdfhglqvlvgvvkdegsyflvygapgfskdneslisraefla
    gvrvgvpqvsdlaaeavvlhytdwlhpedparlrealsdvvgdhnvvcpvaqlagrlaaq
    garvyayvfehrastlswplwmgvphgyeiefifgipldpsrnytaeekifaqrlmrywa
    nfartgdpneprdpkapqwppytagaqqyvsldlrplevrrglraqacafwnrflpklls
    at
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ey5B (B:)
    edaellvtvrggrlrgirlktpggpvsaflgipfaeppmgprrflppepkqpwsgvvdat
    tfqsvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprptsptpvlvwiygggf
    ysgassldvydgrflvqaertvlvsmnyrvgafgflalpgsreapgnvglldqrlalqwv
    qenvaafggdptsvtlfgesagaasvgmhllsppsrglfhravlqsgapngpwatvgmge
    arrratqlahlvgcpptggndtelvaclrtrpaqvlvnhewhvlpqesvfrfsfvpvvdg
    dflsdtpealinagdfhglqvlvgvvkdegsyflvygapgfskdneslisraeflagvrv
    gvpqvsdlaaeavvlhytdwlhpedparlrealsdvvgdhnvvcpvaqlagrlaaqgarv
    yayvfehrastlswplwmgvphgyeiefifgipldpsrnytaeekifaqrlmrywanfar
    tgdpneppkapqwppytagaqqyvsldlrplevrrglraqacafwnrflpkllsa