PDB entry 2xup

View 2xup on RCSB PDB site
Description: CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 SYN inhibitor
Class: hydrolase
Keywords: hydrolase, hydrolase fold, click chemistry
Deposited on 2010-10-19, released 2010-12-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-05-12, with a file datestamp of 2021-05-07.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.24 (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)
      • engineered mutation (336)
    Domains in SCOPe 2.08: d2xupa_
  • Chain 'B':
    Compound: acetylcholinesterase
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P21836 (Start-542)
      • engineered mutation (336)
    Domains in SCOPe 2.08: d2xupb_
  • Heterogens: NAG, P6G, SO3, TZ5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2xupA (A:)
egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
agearrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfv
pvvdgdflsdtpealintgdfqdlqvlvgvvkdegsaflvygvpgfskdneslisraqfl
agvrigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaa
qgarvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkyw
tnfartgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkll
sat

    Sequence, based on observed residues (ATOM records): (download) 
    >2xupA (A:)
egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
agearrratllarlvgcppndteliaclrtrpaqdlvdhewhvlpqesifrfsfvpvvdg
dflsdtpealintgdfqdlqvlvgvvkdegsaflvygvpgfskdneslisraqflagvri
gvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaaqgarv
yayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkywtnfar
tgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkllsat

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2xupB (B:)
egredpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvl
dattfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiyg
ggfysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlal
qwvqeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvs
agearrratllarlvgcppggaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfv
pvvdgdflsdtpealintgdfqdlqvlvgvvkdegsaflvygvpgfskdneslisraqfl
agvrigvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaa
qgarvyayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkyw
tnfartgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkll
sat

    Sequence, based on observed residues (ATOM records): (download) 
    >2xupB (B:)
edpqllvrvrggqlrgirlkapggpvsaflgipfaeppvgsrrfmppepkrpwsgvldat
tfqnvcyqyvdtlypgfegtemwnpnrelsedclylnvwtpyprpasptpvliwiygggf
ysgaasldvydgrflaqvegavlvsmnyrvgtfgflalpgsreapgnvglldqrlalqwv
qeniaafggdpmsvtlfgesagaasvgmhilslpsrslfhravlqsgtpngpwatvsage
arrratllarlvgcppaggndteliaclrtrpaqdlvdhewhvlpqesifrfsfvpvvdg
dflsdtpealintgdfqdlqvlvgvvkdegsaflvygvpgfskdneslisraqflagvri
gvpqasdlaaeavvlhytdwlhpedpthlrdamsavvgdhnvvcpvaqlagrlaaqgarv
yayifehrastltwplwmgvphgyeiefifglpldpslnytteerifaqrlmkywtnfar
tgdpndprdskspqwppyttaaqqyvslnlkplevrrglraqtcafwnrflpkllsat