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- PDB-3hzn: Structure of the Salmonella typhimurium nfnB dihydropteridine red... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3hzn | ||||||
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Title | Structure of the Salmonella typhimurium nfnB dihydropteridine reductase | ||||||
![]() | Oxygen-insensitive NAD(P)H nitroreductase | ||||||
![]() | OXIDOREDUCTASE / alpha and beta protein / 3 layer sandwich / FMN-dependent nitroreductase like / Flavoprotein / FMN / NAD / NADP / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID | ||||||
Function / homology | ![]() : / 2,4,6-trinitrotoluene catabolic process / Oxidoreductases / oxidoreductase activity / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Anderson, S.M. / Wawrzak, Z. / Onopriyenko, O. / Skarina, T. / Anderson, W.F. / Savchenko, A. / Center for Structural Genomics of Infectious Diseases (CSGID) | ||||||
![]() | ![]() Title: Structure of the Salmonella typhimurium nfnB dihydropteridine reductase Authors: Anderson, S.M. / Wawrzak, Z. / Onopriyenko, O. / Skarina, T. / Anderson, W.F. / Savchenko, A. / Center for Structural Genomics of Infectious Diseases (CSGID) | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 372.8 KB | Display | ![]() |
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PDB format | ![]() | 320.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 592.2 KB | Display | ![]() |
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Full document | ![]() | 652 KB | Display | |
Data in XML | ![]() | 86.1 KB | Display | |
Data in CIF | ![]() | 112.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
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Links
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Assembly
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Components
-Protein , 1 types, 8 molecules ABCDEFGH
#1: Protein | Mass: 24539.711 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: LT2 / Gene: nfnB, nfsI, STM0578 / Production host: ![]() ![]() |
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-Non-polymers , 8 types, 900 molecules ![](data/chem/img/TLA.gif)
![](data/chem/img/SIN.gif)
![](data/chem/img/MLI.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/FLC.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SIN.gif)
![](data/chem/img/MLI.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/FLC.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-TLA / #3: Chemical | ChemComp-SIN / #4: Chemical | ChemComp-MLI / #5: Chemical | ChemComp-CL / #6: Chemical | #7: Chemical | ChemComp-NA / #8: Chemical | #9: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.55 Å3/Da / Density % sol: 72.99 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 60% tacsimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Mar 6, 2008 / Details: beryllium lense |
Radiation | Monochromator: C(111) diamond Laue monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97857 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→50 Å / Num. all: 137152 / Num. obs: 136466 / % possible obs: 99.5 % / Observed criterion σ(F): 1.73 / Observed criterion σ(I): 3 / Redundancy: 7.2 % / Rmerge(I) obs: 0.124 / Χ2: 0.999 / Net I/σ(I): 13.722 |
Reflection shell | Resolution: 2.4→2.49 Å / Redundancy: 6.2 % / Rmerge(I) obs: 0.51 / Mean I/σ(I) obs: 3 / Num. unique all: 13315 / Χ2: 0.946 / % possible all: 97.5 |
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Processing
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Refinement | Method to determine structure: ![]() Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES: REFINED INDIVIDUALLY
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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 max: 116.75 Å2 / Biso mean: 37.624 Å2 / Biso min: 2 Å2
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Refinement step | Cycle: LAST / Resolution: 2.4→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.4→2.462 Å / Total num. of bins used: 20
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