PDB entry 3n1x

View 3n1x on RCSB PDB site
Description: X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201C Mutant
Class: Oxidoreductase
Keywords: Diiron, 4-helix bundle, carboxylate bridge, metalloenzyme, oxidoreductase
Deposited on 2010-05-17, released 2010-10-13
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.187
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Toluene o-xylene monooxygenase component
    Species: Pseudomonas sp. [TaxId:320855]
    Gene: touA
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q6IV66
      • engineered mutation (200)
    Domains in SCOPe 2.05: d3n1xa_
  • Chain 'B':
    Compound: Toluene o-xylene monooxygenase component
    Species: Pseudomonas sp. [TaxId:320855]
    Gene: touE
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3n1xb_
  • Chain 'C':
    Compound: Toluene o-xylene monooxygenase component
    Species: Pseudomonas sp. [TaxId:320855]
    Gene: touB
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3n1xc_
  • Heterogens: FE, OH, EDO, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3n1xA (A:)
msmlkredwydltrttnwtpkyvtenelfpeemsgargismeawekydepykitypeyvs
iqrekdsgaysikaalerdgfvdradpgwvstmqlhfgaialeeyaastaearmarfaka
pgnrnmatfgmmdenrhgqiqlyfpyanvkrsrkwdwahkaihtnewaaiaarsffddmm
mtrdsvavsimltfafetgfcnmqflglaadaaeagdhtfaslissiqtdesrhaqqggp
slkilvengkkdeaqqmvdvaiwrswklfsvltgpimdyytplesrnqsfkefmlewiva
qferqlldlgldkpwywdqfmqdldethhgmhlgvwywrptvwwdpaagvspeerewlee
kypgwndtwgqcwdvitdnlvngkpeltvpetlpticnmcnlpiahtpgnkwnvkdyqle
yegrlyhfgseadrwcfqidperyenhtnlvdrflkgeiqpadlagalmymslepgvmgd
dahdyewvkayqkktnaa

    Sequence, based on observed residues (ATOM records): (download) 
    >3n1xA (A:)
smlkredwydltrttnwtpkyvtenelfpeemsgargismeawekydepykitypeyvsi
qrekdsgaysikaalerdgfvdradpgwvstmqlhfgaialeeyaastaearmarfakap
gnrnmatfgmmdenrhgqiqlyfpyanvkrsrkwdwahkaihtnewaaiaarsffddmmm
trdsvavsimltfafetgfcnmqflglaadaaeagdhtfaslissiqtdesrhaqqggps
lkilvengkkdeaqqmvdvaiwrswklfsvltgpimdyytplesrnqsfkefmlewivaq
ferqlldlgldkpwywdqfmqdldethhgmhlgvwywrptvwwdpaagvspeerewleek
ypgwndtwgqcwdvitdnlvngkpeltvpetlpticnmcnlpiahtpgnkwnvkdyqley
egrlyhfgseadrwcfqidperyenhtnlvdrflkgeiqpadlagalmymslepgvmgdd
ahdyewvkayq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3n1xB (B:)
mseqqpealkplktwshlagnrrrpseyevvstnlhyftdnperpweldsnlpmqtwykk
ycfdsplkhddwnafrdpdqlvyrtynllqdgqesyvqglfdqlndrghdqmltrewvet
larfytparylfhalqmgsvyihqiapastitncatyetadhlrwlthtayrtrelancy
pdvgfgkrerdvwendpawqgfreliekaliawdwgeaftainlvtkpaveeallqqlgs
laqsegdtllgllaqaqkrdaerhrrwssalvkmalekegnrevlqkwvakwepladkai
eaycsalpdgenaiveaksasryvrqmmgl

    Sequence, based on observed residues (ATOM records): (download) 
    >3n1xB (B:)
ealkplktwshlagnrrrpseyevvstnlhyftdnperpweldsnlpmqtwykkycfdsp
lkhddwnafrdpdqlvyrtynllqdgqesyvqglfdqlndrghdqmltrewvetlarfyt
parylfhalqmgsvyihqiapastitncatyetadhlrwlthtayrtrelancypdvgfg
krerdvwendpawqgfreliekaliawdwgeaftainlvtkpaveeallqqlgslaqseg
dtllgllaqaqkrdaerhrrwssalvkmalekegnrevlqkwvakwepladkaieaycsa
lpdgenaiveaksasryvrqmmgl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3n1xC (C:)
matfpimsnferdfviqlvpvdtedtmdqvaekcayhsinrrvhpqpekilrvrrhedgt
lfprgmivsdaglrptetldiifmdn

    Sequence, based on observed residues (ATOM records): (download) 
    >3n1xC (C:)
atfpimsnferdfviqlvpvdtedtmdqvaekcayhsinrrvhpqpekilrvrrhedgtl
fprgmivsdaglrptetldiifmdn