PDB entry 3m83

View 3m83 on RCSB PDB site
Description: Crystal structure of Acetyl xylan esterase (TM0077) from THERMOTOGA MARITIMA at 2.12 A resolution (paraoxon inhibitor complex structure)
Class: hydrolase
Keywords: Structural Genomics, Joint Center for Structural Genomics, JCSG, Protein Structure Initiative, PSI-2, AXE1, HYDROLASE
Deposited on 2010-03-17, released 2010-05-12
The last revision prior to the SCOPe 2.01 freeze date was dated 2010-05-12, with a file datestamp of 2010-05-07.
Experiment type: XRAY
Resolution: 2.12 Å
R-factor: 0.169
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: acetyl xylan esterase
    Species: Thermotoga maritima [TaxId:2336]
    Gene: TM0077, TM_0077
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9WXT2 (12-End)
      • leader sequence (11)
    Domains in SCOPe 2.01: d3m83a_
  • Chain 'B':
    Compound: acetyl xylan esterase
    Species: Thermotoga maritima [TaxId:2336]
    Gene: TM0077, TM_0077
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9WXT2 (12-End)
      • leader sequence (11)
    Domains in SCOPe 2.01: d3m83b_
  • Chain 'C':
    Compound: acetyl xylan esterase
    Species: Thermotoga maritima [TaxId:2336]
    Gene: TM0077, TM_0077
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9WXT2 (12-End)
      • leader sequence (11)
    Domains in SCOPe 2.01: d3m83c_
  • Chain 'D':
    Compound: acetyl xylan esterase
    Species: Thermotoga maritima [TaxId:2336]
    Gene: TM0077, TM_0077
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9WXT2 (12-End)
      • leader sequence (11)
    Domains in SCOPe 2.01: d3m83d_
  • Chain 'E':
    Compound: acetyl xylan esterase
    Species: Thermotoga maritima [TaxId:2336]
    Gene: TM0077, TM_0077
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9WXT2 (12-End)
      • leader sequence (11)
    Domains in SCOPe 2.01: d3m83e_
  • Chain 'F':
    Compound: acetyl xylan esterase
    Species: Thermotoga maritima [TaxId:2336]
    Gene: TM0077, TM_0077
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9WXT2 (12-End)
      • leader sequence (11)
    Domains in SCOPe 2.01: d3m83f_
  • Heterogens: CA, EDO, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3m83A (A:)
    mgsdkihhhhhhmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvferme
    shlktveaydvtfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsm
    gyicfvmdtrgqgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavrav
    eaaasfpqvdqeriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthp
    yaeitnflkthrdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaayny
    yagpkeiriypynnhegggsfqaveqvkflkklfekg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m83A (A:)
    hmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvfermeshlktveaydv
    tfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsmgyicfvmdtrg
    qgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavraveaaasfpqvdq
    eriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthpyaeitnflkth
    rdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaaynyyagpkeiriyp
    ynnhegggsfqaveqvkflkklfek
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3m83B (B:)
    mgsdkihhhhhhmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvferme
    shlktveaydvtfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsm
    gyicfvmdtrgqgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavrav
    eaaasfpqvdqeriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthp
    yaeitnflkthrdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaayny
    yagpkeiriypynnhegggsfqaveqvkflkklfekg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m83B (B:)
    hmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvfermeshlktveaydv
    tfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsmgyicfvmdtrg
    qgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavraveaaasfpqvdq
    eriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthpyaeitnflkth
    rdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaaynyyagpkeiriyp
    ynnhegggsfqaveqvkflkklfek
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3m83C (C:)
    mgsdkihhhhhhmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvferme
    shlktveaydvtfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsm
    gyicfvmdtrgqgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavrav
    eaaasfpqvdqeriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthp
    yaeitnflkthrdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaayny
    yagpkeiriypynnhegggsfqaveqvkflkklfekg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m83C (C:)
    hmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvfermeshlktveaydv
    tfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsmgyicfvmdtrg
    qgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavraveaaasfpqvdq
    eriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthpyaeitnflkth
    rdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaaynyyagpkeiriyp
    ynnhegggsfqaveqvkflkklfek
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3m83D (D:)
    mgsdkihhhhhhmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvferme
    shlktveaydvtfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsm
    gyicfvmdtrgqgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavrav
    eaaasfpqvdqeriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthp
    yaeitnflkthrdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaayny
    yagpkeiriypynnhegggsfqaveqvkflkklfekg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m83D (D:)
    hmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvfermeshlktveaydv
    tfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsmgyicfvmdtrg
    qgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavraveaaasfpqvdq
    eriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthpyaeitnflkth
    rdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaaynyyagpkeiriyp
    ynnhegggsfqaveqvkflkklfe
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3m83E (E:)
    mgsdkihhhhhhmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvferme
    shlktveaydvtfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsm
    gyicfvmdtrgqgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavrav
    eaaasfpqvdqeriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthp
    yaeitnflkthrdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaayny
    yagpkeiriypynnhegggsfqaveqvkflkklfekg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m83E (E:)
    hmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvfermeshlktveaydv
    tfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsmgyicfvmdtrg
    qgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavraveaaasfpqvdq
    eriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthpyaeitnflkth
    rdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaaynyyagpkeiriyp
    ynnhegggsfqaveqvkflkklfe
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3m83F (F:)
    mgsdkihhhhhhmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvferme
    shlktveaydvtfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsm
    gyicfvmdtrgqgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavrav
    eaaasfpqvdqeriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthp
    yaeitnflkthrdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaayny
    yagpkeiriypynnhegggsfqaveqvkflkklfekg
    

    Sequence, based on observed residues (ATOM records): (download)
    >3m83F (F:)
    hmaffdlpleelkkyrperyeekdfdefweetlaesekfpldpvfermeshlktveaydv
    tfsgyrgqrikgwllvpkleeeklpcvvqyigynggrgfphdwlfwpsmgyicfvmdtrg
    qgsgwlkgdtpdypegpvdpqypgfmtrgildprtyyyrrvftdavraveaaasfpqvdq
    eriviaggsqgggialavsalskkakallcdvpflchfrravqlvdthpyaeitnflkth
    rdkeeivfrtlsyfdgvnfaarakipalfsvglmdnicppstvfaaynyyagpkeiriyp
    ynnhegggsfqaveqvkflkklfek