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- PDB-1sjg: Solution Structure of T4moC, the Rieske Ferredoxin Component of t... -

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Basic information

Entry
Database: PDB / ID: 1sjg
TitleSolution Structure of T4moC, the Rieske Ferredoxin Component of the Toluene 4-Monooxygenase Complex
ComponentsToluene-4-monooxygenase system protein C
KeywordsELECTRON TRANSPORT / Rieske [2Fe-2S] domain / ferredoxin / Pfam PF00355
Function / homology
Function and homology information


toluene catabolic process / 2 iron, 2 sulfur cluster binding / metal ion binding
Similarity search - Function
Rieske Iron-sulfur Protein / Rieske [2Fe-2S] iron-sulphur domain / 3-layer Sandwich / Rieske [2Fe-2S] iron-sulphur domain / Rieske [2Fe-2S] domain / Rieske [2Fe-2S] iron-sulfur domain profile. / Rieske [2Fe-2S] iron-sulphur domain superfamily / Mainly Beta
Similarity search - Domain/homology
FE2/S2 (INORGANIC) CLUSTER / Toluene-4-monooxygenase system, ferredoxin component
Similarity search - Component
Biological speciesPseudomonas mendocina (bacteria)
MethodSOLUTION NMR / simulated annealing
AuthorsSkjeldal, L. / Peterson, F.C. / Doreleijers, J.F. / Moe, L.A. / Pikus, J.D. / Volkman, B.F. / Westler, W.M. / Markley, J.L. / Fox, B.G.
Citation
Journal: J.Biol.Inorg.Chem. / Year: 2004
Title: Solution structure of T4moC, the Rieske ferredoxin component of the toluene 4-monooxygenase complex
Authors: Skjeldal, L. / Peterson, F.C. / Doreleijers, J.F. / Moe, L.A. / Pikus, J.D. / Westler, W.M. / Markley, J.L. / Volkman, B.F. / Fox, B.G.
#1: Journal: Biochemistry / Year: 1996
Title: Recombinant toluene-4-monooxygenase: catalytic and Mossbauer studies of the purified diiron and rieske components of a four-protein complex
Authors: Pikus, J.D. / Studts, J.M. / Achim, C. / Kauffmann, K.E. / Munck, E. / Steffan, R.J. / McClay, K. / Fox, B.G.
#2: Journal: Biochemistry / Year: 1999
Title: Detection and classification of hyperfine-shifted 1H, 2H, and 15N resonances of the Rieske ferredoxin component from toluene 4-monooxygenase
Authors: Xia, B. / Pikus, J.D. / Xia, W. / McClay, K. / Steffan, R.J. / Chae, Y.K. / Westler, W.M. / Markley, J.L. / Fox, B.G.
#3: Journal: Protein Expr.Purif. / Year: 1999
Title: Application of fed-batch fermentation to the preparation of isotopically labeled or selenomethionyl-labeled proteins
Authors: Studts, J.M. / Fox, B.G.
History
DepositionMar 3, 2004Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 7, 2004Provider: repository / Type: Initial release
Revision 1.1Apr 29, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3May 1, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_nmr_software / pdbx_struct_conn_angle / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_label_atom_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Toluene-4-monooxygenase system protein C
hetero molecules


Theoretical massNumber of molelcules
Total (without water)12,5132
Polymers12,3371
Non-polymers1761
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 100target function
RepresentativeModel #1closest to the average

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Components

#1: Protein Toluene-4-monooxygenase system protein C / T4MOC


Mass: 12336.695 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas mendocina (bacteria) / Strain: KR1 / Gene: TMOC / Plasmid: pJP01 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: Q00458
#2: Chemical ChemComp-FES / FE2/S2 (INORGANIC) CLUSTER / Iron–sulfur cluster


Mass: 175.820 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Fe2S2

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
1212D TOCSY
131HNCA-J
1413D 13C-separated NOESY
1513D 15N-separated NOESY

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Sample preparation

DetailsContents: 20 mM phosphate, 90% H2O, 10% D2O / Solvent system: 90% H2O/10% D2O
Sample conditionsIonic strength: 20 mM phosphate / pH: 6.4 / Pressure: ambient / Temperature: 298 K

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 600 MHz

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Processing

NMR software
NameVersionDeveloperClassification
Felix95Molecular Simulations, Inccollection
CANDID1Hermannprocessing
CYANA1Gntertrefinement
XPLOR-NIH1Schwietersstructure solution
TALOS1Cornilescurefinement
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 20

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