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Yorodumi- PDB-2bf5: Crystal structure of a toluene 4-monooxygenase catalytic effector... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2bf5 | ||||||
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Title | Crystal structure of a toluene 4-monooxygenase catalytic effector protein variant missing four N-terminal residues (delta-N4 T4moD) | ||||||
Components | TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN D | ||||||
Keywords | OXIDOREDUCTASE / CATALYTIC EFFECTOR PROTEIN / N-TERMINAL TRUNCATED MUTANT / AROMATIC HYDROCARBON CATABOLISM / MONOOXYGENASE / TOLUENE OXIDATION / MOLECULAR REPLACEMENT | ||||||
Function / homology | Function and homology information | ||||||
Biological species | PSEUDOMONAS MENDOCINA (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.71 Å | ||||||
Authors | Lountos, G.T. / Mitchell, K.H. / Studts, J.M. / Fox, B.G. / Orville, A.M. | ||||||
Citation | Journal: Biochemistry / Year: 2005 Title: Crystal Structures and Functional Studies of T4Mod, the Toluene 4-Monooxygenase Catalytic Effector Protein Authors: Lountos, G.T. / Mitchell, K.H. / Studts, J.M. / Fox, B.G. / Orville, A.M. #1: Journal: Acta Crystallogr.,Sect.D / Year: 2003 Title: Crystallization and Preliminary Analysis of Native and N-Terminal Truncated Isoforms of Toluene-4- Monooxygenase Catalytic Effector Protein Authors: Orville, A.M. / Studts, J.M. / Lountos, G.T. / Mitchell, K.H. / Fox, B.G. #2: Journal: Biochemistry / Year: 2001 Title: Solution Structure of the Toluene 4-Monooxygenase Effector Protein (T4Mod) Authors: Hemmi, H. / Studts, J.M. / Chae, Y.K. / Song, J. / 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. #4: Journal: Biochemistry / Year: 2002 Title: Combined Participation of Hydroxylase Active Site Residues and Effector Protein Binding in a Para to Ortho Modulation of Toluene 4-Monooxygenase Regiospecificity Authors: Mitchell, K.H. / Studts, J.M. / Fox, B.G. #5: 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. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2bf5.cif.gz | 54.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2bf5.ent.gz | 41.1 KB | Display | PDB format |
PDBx/mmJSON format | 2bf5.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bf/2bf5 ftp://data.pdbj.org/pub/pdb/validation_reports/bf/2bf5 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 11125.419 Da / Num. of mol.: 2 / Fragment: RESIDUES 5-102 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PSEUDOMONAS MENDOCINA (bacteria) / Strain: KR1 / Plasmid: PET3A / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) References: UniProt: Q00459, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of one atom of oxygen into the other donor #2: Water | ChemComp-HOH / | Sequence details | THE DELTA-N4 T4MOD VARIANT WAS CREATED WITH A VECTOR THAT INITIATES PROTEIN TRANSLATION AT RESIDUE ...THE DELTA-N4 T4MOD VARIANT WAS CREATED WITH A VECTOR THAT INITIATES PROTEIN TRANSLATIO | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 49 % |
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Crystal grow | Details: PROTEIN WAS CRYSTALLIZED FROM 2.0 M AMMONIUM SULFATE, 5% (V/V) 2-PROPANOL, AND 1.5% (V/V) 1,2,3-HEPTANETRIOL. |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1.0332 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Feb 21, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0332 Å / Relative weight: 1 |
Reflection | Resolution: 1.71→37 Å / Num. obs: 23407 / % possible obs: 99.9 % / Observed criterion σ(I): 2 / Redundancy: 21.8 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 3.4 |
Reflection shell | Resolution: 1.71→1.8 Å / Redundancy: 21.6 % / Rmerge(I) obs: 0.35 / Mean I/σ(I) obs: 1.9 / % possible all: 99.9 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: NATIVE TOLUENE 4-MONOOXYGENASE Resolution: 1.71→37 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.945 / SU B: 1.559 / SU ML: 0.053 / Cross valid method: THROUGHOUT / ESU R: 0.095 / ESU R Free: 0.094 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 5-10 IN CHAIN A AND CHAIN B AND RESIDUE 102 IN CHAIN B WERE NOT INCLUDED DUE TO THE LACK OF ELECTRON DENSITY.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.37 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.71→37 Å
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Refine LS restraints |
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