PDB entry 3ain

View 3ain on RCSB PDB site
Description: R267G mutant of a HSL-like carboxylesterase from Sulfolobus tokodaii
Class: hydrolase
Keywords: Carboxylesterase, thermophilic, dimer, archaea, R267G, 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: 1.65 Å
R-factor: 0.176
AEROSPACI score: 0.56 (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):
    • Uniprot Q976W8 (Start-322)
      • engineered mutation (286)
    Domains in SCOPe 2.06: d3aina_
  • Chain 'B':
    Compound: 303aa long hypothetical esterase
    Species: Sulfolobus tokodaii [TaxId:111955]
    Gene: ST0071
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q976W8 (Start-322)
      • engineered mutation (286)
    Domains in SCOPe 2.06: d3ainb_
  • Chain 'C':
    Compound: 303aa long hypothetical esterase
    Species: Sulfolobus tokodaii [TaxId:111955]
    Gene: ST0071
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q976W8 (Start-322)
      • engineered mutation (286)
    Domains in SCOPe 2.06: d3ainc_
  • Chain 'D':
    Compound: 303aa long hypothetical esterase
    Species: Sulfolobus tokodaii [TaxId:111955]
    Gene: ST0071
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q976W8 (Start-322)
      • engineered mutation (286)
    Domains in SCOPe 2.06: d3aind_
  • Heterogens: MPD, PO4, MRD, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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