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Yorodumi- PDB-3vf2: Crystal structure of the O-carbamoyltransferase TobZ M473I varian... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3vf2 | ||||||
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Title | Crystal structure of the O-carbamoyltransferase TobZ M473I variant in complex with carbamoyl phosphate and ADP | ||||||
Components | O-carbamoyltransferase TobZ | ||||||
Keywords | TRANSFERASE / antibiotic biosynthesis / substrate assisted catalysis / substrate channeling / adenylation / structural enzymology / enzyme evolution | ||||||
Function / homology | Function and homology information nebramycin 5' synthase / tobramycin biosynthetic process / kanamycin biosynthetic process / carboxyl- or carbamoyltransferase activity / ligase activity / hydrolase activity / iron ion binding / ATP binding Similarity search - Function | ||||||
Biological species | Streptoalloteichus tenebrarius (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.9 Å | ||||||
Authors | Parthier, C. / Stubbs, M.T. / Goerlich, S. / Jaenecke, F. | ||||||
Citation | Journal: Angew.Chem.Int.Ed.Engl. / Year: 2012 Title: The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction. Authors: Parthier, C. / Gorlich, S. / Jaenecke, F. / Breithaupt, C. / Brauer, U. / Fandrich, U. / Clausnitzer, D. / Wehmeier, U.F. / Bottcher, C. / Scheel, D. / Stubbs, M.T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3vf2.cif.gz | 123.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3vf2.ent.gz | 93.3 KB | Display | PDB format |
PDBx/mmJSON format | 3vf2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vf/3vf2 ftp://data.pdbj.org/pub/pdb/validation_reports/vf/3vf2 | HTTPS FTP |
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-Related structure data
Related structure data | 3venSC 3veoC 3verC 3vesC 3vetC 3vewC 3vexC 3vezC 3vf4C 4e1bC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 63433.121 Da / Num. of mol.: 1 / Mutation: M473I Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptoalloteichus tenebrarius (bacteria) Strain: DSM40770T / Gene: tacA, tobZ / Plasmid: pUWL201PW / Production host: Streptomyces lividans (bacteria) / Strain (production host): TK24 References: UniProt: Q70IY1, Transferases; Transferring one-carbon groups; Carboxy- and carbamoyltransferases |
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#2: Chemical | ChemComp-FE2 / |
#3: Chemical | ChemComp-K / |
#4: Chemical | ChemComp-CP / |
#5: Chemical | ChemComp-ADP / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.14 Å3/Da / Density % sol: 60.86 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 1.6 M sodium potassium tartrate, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1.5418 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Aug 24, 2011 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.9→29.34 Å / Num. all: 19007 / Num. obs: 18717 / % possible obs: 98.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 4.1 % / Biso Wilson estimate: 16.45 Å2 / Rmerge(I) obs: 0.148 / Net I/σ(I): 10.21 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3VEN Resolution: 2.9→29.336 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.8 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 23.49 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.83 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 6.452 Å2 / ksol: 0.374 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 92.58 Å2 / Biso mean: 17.541 Å2 / Biso min: 3.41 Å2
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Refinement step | Cycle: LAST / Resolution: 2.9→29.336 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 7
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