PDB entry 3rnb

View 3rnb on RCSB PDB site
Description: Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/F176W Double Mutant
Class: oxidoreductase
Keywords: toluene, hydroxylase, four-helix bundle, diiron, oxygen pathway, OXIDOREDUCTASE
Deposited on 2011-04-22, released 2011-08-17
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-09-21, with a file datestamp of 2011-09-16.
Experiment type: XRAY
Resolution: 2.64 Å
R-factor: 0.178
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Toluene o-xylene monooxygenase component
    Species: Pseudomonas sp. OX1 [TaxId:320855]
    Gene: touA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6IV66
      • engineered mutation (175)
      • engineered mutation (200)
      • engineered mutation (444)
    Domains in SCOPe 2.07: d3rnba_
  • Chain 'B':
    Compound: Toluene o-xylene monooxygenase component
    Species: Pseudomonas sp. OX1 [TaxId:320855]
    Gene: touE
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3rnbb_
  • Chain 'C':
    Compound: Toluene o-xylene monooxygenase component
    Species: Pseudomonas sp. OX1 [TaxId:320855]
    Gene: touB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3rnbc_
  • Heterogens: OH, FE, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3rnbA (A:)
    msmlkredwydltrttnwtpkyvtenelfpeemsgargismeawekydepykitypeyvs
    iqrekdsgaysikaalerdgfvdradpgwvstmqlhfgaialeeyaastaearmarfaka
    pgnrnmatfgmmdenrhgqiqlyfpyanvkrsrkwdwahkaihtnewaaiaarsfwddmm
    mtrdsvavsimltfafetgfsnmqflglaadaaeagdhtfaslissiqtdesrhaqqggp
    slkilvengkkdeaqqmvdvaiwrswklfsvltgpimdyytplesrnqsfkefmlewiva
    qferqlldlgldkpwywdqfmqdldethhgmhlgvwywrptvwwdpaagvspeerewlee
    kypgwndtwgqcwdvitdnlvngkpeltvpetlpticnmcnlpiahtpgnkwnvkdyqle
    yegrlyhfgseadrwcfqidperyknhtnlvdrflkgeiqpadlagalmymslepgvmgd
    dahdyewvkayqkktnaa
    

    Sequence, based on observed residues (ATOM records): (download)
    >3rnbA (A:)
    smlkredwydltrttnwtpkyvtenelfpeemsgargismeawekydepykitypeyvsi
    qrekdsgaysikaalerdgfvdradpgwvstmqlhfgaialeeyaastaearmarfakap
    gnrnmatfgmmdenrhgqiqlyfpyanvkrsrkwdwahkaihtnewaaiaarsfwddmmm
    trdsvavsimltfafetgfsnmqflglaadaaeagdhtfaslissiqtdesrhaqqggps
    lkilvengkkdeaqqmvdvaiwrswklfsvltgpimdyytplesrnqsfkefmlewivaq
    ferqlldlgldkpwywdqfmqdldethhgmhlgvwywrptvwwdpaagvspeerewleek
    ypgwndtwgqcwdvitdnlvngkpeltvpetlpticnmcnlpiahtpgnkwnvkdyqley
    egrlyhfgseadrwcfqidperyknhtnlvdrflkgeiqpadlagalmymslepgvmgdd
    ahdyewvkayq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3rnbB (B:)
    mseqqpealkplktwshlagnrrrpseyevvstnlhyftdnperpweldsnlpmqtwykk
    ycfdsplkhddwnafrdpdqlvyrtynllqdgqesyvqglfdqlndrghdqmltrewvet
    larfytparylfhalqmgsvyihqiapastitncatyetadhlrwlthtayrtrelancy
    pdvgfgkrerdvwendpawqgfreliekaliawdwgeaftainlvtkpaveeallqqlgs
    laqsegdtllgllaqaqkrdaerhrrwssalvkmalekegnrevlqkwvakwepladkai
    eaycsalpdgenaiveaksasryvrqmmgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3rnbB (B:)
    alkplktwshlagnrrrpseyevvstnlhyftdnperpweldsnlpmqtwykkycfdspl
    khddwnafrdpdqlvyrtynllqdgqesyvqglfdqlndrghdqmltrewvetlarfytp
    arylfhalqmgsvyihqiapastitncatyetadhlrwlthtayrtrelancypdvgfgk
    rerdvwendpawqgfreliekaliawdwgeaftainlvtkpaveeallqqlgslaqsegd
    tllgllaqaqkrdaerhrrwssalvkmalekegnrevlqkwvakwepladkaieaycsal
    pdgenaiveaksasryvrqmmgl
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3rnbC (C:)
    matfpimsnferdfviqlvpvdtedtmdqvaekcayhsinrrvhpqpekilrvrrhedgt
    lfprgmivsdaglrptetldiifmdn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3rnbC (C:)
    atfpimsnferdfviqlvpvdtedtmdqvaekcayhsinrrvhpqpekilrvrrhedgtl
    fprgmivsdaglrptetldiifmdn