PDB entry 4bc1

View 4bc1 on RCSB PDB site
Description: Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct
Class: hydrolase
Keywords: hydrolase, butyrylcholinesterase, nerve transmission, inhibitor, alpha-beta hydrolase
Deposited on 2012-09-30, released 2013-02-06
The last revision prior to the SCOPe 2.02 freeze date was dated 2013-02-27, with a file datestamp of 2013-02-22.
Experiment type: XRAY
Resolution: 2.95 Å
R-factor: 0.1879
AEROSPACI score: 0.26 (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): Domains in SCOPe 2.02: d4bc1a_
  • Chain 'B':
    Compound: acetylcholinesterase
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.02: d4bc1b_
  • Chain 'C':
    Compound: acetylcholinesterase
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.02: d4bc1c_
  • Chain 'D':
    Compound: acetylcholinesterase
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.02: d4bc1d_
  • Heterogens: TQV, NAG, CL, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4bc1A (A:)
    egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
    dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
    ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
    qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
    agearrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfv
    pvvdgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqfl
    agvrigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaa
    qgarvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkyw
    tnfartgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkll
    sat
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bc1A (A:)
    edpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvldat
    tfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiygggf
    ysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlalqwv
    qeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvsage
    arrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfvpvv
    dgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqflagv
    rigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaaqga
    rvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkywtnf
    artgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkllsat
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4bc1B (B:)
    egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
    dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
    ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
    qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
    agearrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfv
    pvvdgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqfl
    agvrigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaa
    qgarvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkyw
    tnfartgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkll
    sat
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bc1B (B:)
    dpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvldatt
    fqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiygggfy
    sgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlalqwvq
    eniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvsagea
    rrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfvpvvd
    gdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqflagvr
    igvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaaqgar
    vyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkywtnfa
    rtgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkllsat
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4bc1C (C:)
    egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
    dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
    ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
    qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
    agearrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfv
    pvvdgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqfl
    agvrigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaa
    qgarvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkyw
    tnfartgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkll
    sat
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bc1C (C:)
    edpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvldat
    tfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiygggf
    ysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlalqwv
    qeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvsage
    arrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfvpvv
    dgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqflagv
    rigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaaqga
    rvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkywtnf
    artgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkllsat
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4bc1D (D:)
    egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
    dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
    ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
    qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
    agearrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfv
    pvvdgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqfl
    agvrigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaa
    qgarvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkyw
    tnfartgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkll
    sat
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bc1D (D:)
    edpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvldat
    tfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiygggf
    ysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlalqwv
    qeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvsage
    arrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfvpvv
    dgdflsdtpealintgdfqdlqvlvgvvkdegsyflvygvpgfskdneslisraqflagv
    rigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaaqga
    rvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkywtnf
    artgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkllsat