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- PDB-2bf2: Crystal structure of native toluene-4-monooxygenase catalytic eff... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2bf2 | ||||||
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Title | Crystal structure of native toluene-4-monooxygenase catalytic effector protein, T4moD | ||||||
![]() | TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN D | ||||||
![]() | OXIDOREDUCTASE / CATALYTIC EFFECTOR PROTEIN / MAD PHASING / AROMATIC HYDROCARBON CATABOLISM / MONOOXYGENASE / TOLUENE OXIDATION / FAD / FLAVOPROTEIN / IRON | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Lountos, G.T. / Mitchell, K.H. / Studts, J.M. / Fox, B.G. / Orville, A.M. | ||||||
![]() | ![]() 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: ![]() 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. #2: 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. #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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 51.1 KB | Display | ![]() |
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PDB format | ![]() | 39 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 438.3 KB | Display | ![]() |
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Full document | ![]() | 442.4 KB | Display | |
Data in XML | ![]() | 10.3 KB | Display | |
Data in CIF | ![]() | 13.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 11497.836 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() 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 / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.5 Å3/Da / Density % sol: 65 % |
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Crystal grow | pH: 4.7 Details: PROTEIN CRYSTALLIZED FROM 975MM SODIUM/POTASSIUM PHOSPHATE PH 4.7, 400 MM NACL AND 50 MM SUCCINATE PH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.7433 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→37 Å / Num. obs: 19009 / % possible obs: 96.5 % / Observed criterion σ(I): 2 / Redundancy: 1.8 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 6 |
Reflection shell | Resolution: 2.05→2.11 Å / Redundancy: 1.2 % / Rmerge(I) obs: 0.29 / Mean I/σ(I) obs: 2.5 / % possible all: 78.2 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: 47.23 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→37 Å
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Refine LS restraints |
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