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Open data
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Basic information
Entry | Database: PDB / ID: 3tr6 | ||||||
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Title | Structure of a O-methyltransferase from Coxiella burnetii | ||||||
![]() | O-methyltransferase | ||||||
![]() | TRANSFERASE / Cellular processes | ||||||
Function / homology | ![]() S-adenosylmethionine-dependent methyltransferase activity / O-methyltransferase activity / Transferases; Transferring one-carbon groups; Methyltransferases / methylation Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Cheung, J. / Franklin, M.C. / Rudolph, M. / Cassidy, M. / Gary, E. / Burshteyn, F. / Love, J. | ||||||
![]() | ![]() Title: Structural genomics for drug design against the pathogen Coxiella burnetii. Authors: Franklin, M.C. / Cheung, J. / Rudolph, M.J. / Burshteyn, F. / Cassidy, M. / Gary, E. / Hillerich, B. / Yao, Z.K. / Carlier, P.R. / Totrov, M. / Love, J.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 57.1 KB | Display | ![]() |
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PDB format | ![]() | 44.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 682.5 KB | Display | ![]() |
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Full document | ![]() | 684.2 KB | Display | |
Data in XML | ![]() | 11.8 KB | Display | |
Data in CIF | ![]() | 15.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3tq8C ![]() 3tq9C ![]() 3tqaC ![]() 3tqbC ![]() 3tqcC ![]() 3tqdC ![]() 3tqeC ![]() 3tqfC ![]() 3tqgC ![]() 3tqhC ![]() 3tqiC ![]() 3tqjC ![]() 3tqlC ![]() 3tqmC ![]() 3tqnC ![]() 3tqoC ![]() 3tqpC ![]() 3tqqC ![]() 3tqrC ![]() 3tqsC ![]() 3tqtC ![]() 3tquC ![]() 3tqwC ![]() 3tqxC ![]() 3tqyC ![]() 3tqzC ![]() 3tr0C ![]() 3tr1C ![]() 3tr2C ![]() 3tr3C ![]() 3tr4C ![]() 3tr5C ![]() 3tr7C ![]() 3tr8C ![]() 3tr9C ![]() 3trbC ![]() 3trcC ![]() 3trdC ![]() 3treC ![]() 3trfC ![]() 3trgC ![]() 3trhC ![]() 3triC ![]() 3tthC ![]() 3ty2C ![]() 3uwcC ![]() 4f3qC ![]() 4f3rC ![]() 4nbqC ![]() 4ng4C C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 25403.262 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: Q83D22, Transferases; Transferring one-carbon groups; Methyltransferases |
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#2: Chemical | ChemComp-NI / |
#3: Chemical | ChemComp-SAH / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.24 Å3/Da / Density % sol: 70.96 % |
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Crystal grow | Temperature: 295 K / Method: sitting drop / pH: 8.5 Details: 0.1M Tris pH 8.5, 0.01M Nickel (II) chloride, 20% PEG MME 2000, sitting drop, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: RIGAKU SATURN 944 / Detector: CCD / Date: Jul 6, 2011 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: VARIMAX HF / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.7→30 Å / Num. all: 13010 / Num. obs: 12763 / % possible obs: 98.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 13.2 % / Rmerge(I) obs: 0.074 / Χ2: 1.08 / Net I/σ(I): 11 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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-Phasing
Phasing | Method: ![]() |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.95 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 22.342 Å2 / ksol: 0.302 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 124.68 Å2 / Biso mean: 41.5431 Å2 / Biso min: 16.9 Å2
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Refinement step | Cycle: LAST / Resolution: 2.7→29.845 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: 4
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