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- PDB-3tqa: Structure of the dihydrofolate reductase (folA) from Coxiella bur... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3tqa | ||||||
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Title | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with NADPH | ||||||
![]() | Dihydrofolate reductase![]() | ||||||
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Function / homology | ![]() dihydrofolate metabolic process / glycine biosynthetic process / ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Franklin, M.C. / Cassidy, M. / Hillerich, B. / 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 | ![]() | 81.1 KB | Display | ![]() |
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PDB format | ![]() | 61.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3tq8C ![]() 3tq9C ![]() 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 ![]() 3tr6C ![]() 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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Unit cell |
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Components
#1: Protein | ![]() Mass: 20924.158 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-NDP / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.23 Å3/Da / Density % sol: 44.82 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 100 mM HEPES, pH 7.5 25% PEG 6000 , VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Oct 28, 2010 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.3→100 Å / Num. all: 8034 / % possible obs: 96 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 5.7 % / Rsym value: 0.062 / Net I/σ(I): 20.2 |
Reflection shell | Resolution: 2.3→2.34 Å / Redundancy: 5.8 % / Mean I/σ(I) obs: 1.7 / Rsym value: 0.558 / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: Unliganded CBU_1993 Resolution: 2.3→25.77 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.919 / SU B: 22.644 / SU ML: 0.26 / Cross valid method: THROUGHOUT / ESU R: 0.456 / ESU R Free: 0.298 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 76.41 Å2
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Refinement step | Cycle: LAST / Resolution: 2.3→25.77 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.301→2.361 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Origin x: 14.4271 Å / Origin y: 0.8398 Å / Origin z: 11.8337 Å
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