PDB entry 3ail

View 3ail on RCSB PDB site
Description: Crystal structure of a HSL-like carboxylesterase from Sulfolobus tokodaii complexed with paraoxon
Class: hydrolase
Keywords: Carboxylesterase, thermophilic, dimer, archaea, HYDROLASE
Deposited on 2010-05-16, released 2011-06-08
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-09-05, with a file datestamp of 2012-08-31.
Experiment type: XRAY
Resolution: 1.91 Å
R-factor: 0.164
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 303aa long hypothetical esterase
    Species: Sulfolobus tokodaii [TaxId:111955]
    Gene: ST0071
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3aila_
  • Chain 'B':
    Compound: 303aa long hypothetical esterase
    Species: Sulfolobus tokodaii [TaxId:111955]
    Gene: ST0071
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3ailb_
  • Chain 'C':
    Compound: 303aa long hypothetical esterase
    Species: Sulfolobus tokodaii [TaxId:111955]
    Gene: ST0071
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3ailc_
  • Chain 'D':
    Compound: 303aa long hypothetical esterase
    Species: Sulfolobus tokodaii [TaxId:111955]
    Gene: ST0071
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3aild_
  • Heterogens: DEP, MRD, PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ailA (A:)
mgsshhhhhhssglvprgshmidpkikkllestiqlpigkasveeirslfkqfssltpre
evgkieditipgsetnikarvyypktqgpygvlvyyhgggfvlgdiesydplcraitnsc
qcvtisvdyrlapenkfpaavvdsfdalkwvynnsekfngkygiavggdsaggnlaavta
ilskkeniklkyqvliypavsfdlitkslydngegffltrehidwfgqqylrsfadlldf
rfspiladlndlppaliitaehdplrdqgeayankllqsgvqvtsvrfnnvihgfvsffp
fieqgrdaigligyvlrkvfygk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ailA (A:)
asveeirslfkqfssltpreevgkieditipgsetnikarvyypktqgpygvlvyyhggg
fvlgdiesydplcraitnscqcvtisvdyrlapenkfpaavvdsfdalkwvynnsekfng
kygiavggdsaggnlaavtailskkeniklkyqvliypavsfdlitkslydngegffltr
ehidwfgqqylrsfadlldfrfspiladlndlppaliitaehdplrdqgeayankllqsg
vqvtsvrfnnvihgfvsffpfieqgrdaigligyvlrkvfygk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3ailB (B:)
mgsshhhhhhssglvprgshmidpkikkllestiqlpigkasveeirslfkqfssltpre
evgkieditipgsetnikarvyypktqgpygvlvyyhgggfvlgdiesydplcraitnsc
qcvtisvdyrlapenkfpaavvdsfdalkwvynnsekfngkygiavggdsaggnlaavta
ilskkeniklkyqvliypavsfdlitkslydngegffltrehidwfgqqylrsfadlldf
rfspiladlndlppaliitaehdplrdqgeayankllqsgvqvtsvrfnnvihgfvsffp
fieqgrdaigligyvlrkvfygk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ailB (B:)
asveeirslfkqfssltpreevgkieditipgsetnikarvyypktqgpygvlvyyhggg
fvlgdiesydplcraitnscqcvtisvdyrlapenkfpaavvdsfdalkwvynnsekfng
kygiavggdsaggnlaavtailskkeniklkyqvliypavsfdlitkslydngegffltr
ehidwfgqqylrsfadlldfrfspiladlndlppaliitaehdplrdqgeayankllqsg
vqvtsvrfnnvihgfvsffpfieqgrdaigligyvlrkvfygk

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3ailC (C:)
mgsshhhhhhssglvprgshmidpkikkllestiqlpigkasveeirslfkqfssltpre
evgkieditipgsetnikarvyypktqgpygvlvyyhgggfvlgdiesydplcraitnsc
qcvtisvdyrlapenkfpaavvdsfdalkwvynnsekfngkygiavggdsaggnlaavta
ilskkeniklkyqvliypavsfdlitkslydngegffltrehidwfgqqylrsfadlldf
rfspiladlndlppaliitaehdplrdqgeayankllqsgvqvtsvrfnnvihgfvsffp
fieqgrdaigligyvlrkvfygk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ailC (C:)
asveeirslfkqfssltpreevgkieditipgsetnikarvyypktqgpygvlvyyhggg
fvlgdiesydplcraitnscqcvtisvdyrlapenkfpaavvdsfdalkwvynnsekfng
kygiavggdsaggnlaavtailskkeniklkyqvliypavsfdlitkslydngegffltr
ehidwfgqqylrsfadlldfrfspiladlndlppaliitaehdplrdqgeayankllqsg
vqvtsvrfnnvihgfvsffpfieqgrdaigligyvlrkvfygk

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3ailD (D:)
mgsshhhhhhssglvprgshmidpkikkllestiqlpigkasveeirslfkqfssltpre
evgkieditipgsetnikarvyypktqgpygvlvyyhgggfvlgdiesydplcraitnsc
qcvtisvdyrlapenkfpaavvdsfdalkwvynnsekfngkygiavggdsaggnlaavta
ilskkeniklkyqvliypavsfdlitkslydngegffltrehidwfgqqylrsfadlldf
rfspiladlndlppaliitaehdplrdqgeayankllqsgvqvtsvrfnnvihgfvsffp
fieqgrdaigligyvlrkvfygk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ailD (D:)
asveeirslfkqfssltpreevgkieditipgsetnikarvyypktqgpygvlvyyhggg
fvlgdiesydplcraitnscqcvtisvdyrlapenkfpaavvdsfdalkwvynnsekfng
kygiavggdsaggnlaavtailskkeniklkyqvliypavsfdlitkslydngegffltr
ehidwfgqqylrsfadlldfrfspiladlndlppaliitaehdplrdqgeayankllqsg
vqvtsvrfnnvihgfvsffpfieqgrdaigligyvlrkvfygk