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Yorodumi- PDB-1jfb: X-ray structure of nitric oxide reductase (cytochrome P450nor) in... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1jfb | ||||||
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Title | X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferric resting state at atomic resolution | ||||||
Components | nitric-oxide reductase cytochrome P450 55A1 | ||||||
Keywords | OXIDOREDUCTASE / nitric oxide reductase / Cytochrome P450nor / atomic resolution / RIKEN Structural Genomics/Proteomics Initiative / RSGI / Structural Genomics | ||||||
Function / homology | Function and homology information nitric oxide reductase [NAD(P)+, nitrous oxide-forming] / nitric oxide reductase (NAD(P)H) activity / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding Similarity search - Function | ||||||
Biological species | Fusarium oxysporum (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1 Å | ||||||
Authors | Shimizu, H. / Adachi, S. / Park, S.Y. / Shiro, Y. / RIKEN Structural Genomics/Proteomics Initiative (RSGI) | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2002 Title: X-ray structure of nitric oxide reductase (cytochrome P450nor) at atomic resolution. Authors: Shimizu, H. / Park, S.Y. / Shiro, Y. / Adachi, S. #1: Journal: Nat.Struct.Biol. / Year: 1997 Title: Crystal structure of nitric oxide reductase from denitrifying fungus Fusarium oxysporum Authors: Park, S.Y. / Shimizu, H. / Adachi, S. / Nakagawa, A. / Tanaka, I. / Nakahara, K. / Shoun, H. / Obayashi, E. / Nakamura, H. / Iizuka, T. / Shiro, Y. #2: Journal: J.Biol.Chem. / Year: 2000 Title: Proton Delivery in No Reduction by Fungal Nitric-Oxide Reductase. Cryogenic Crystallography, Spectroscopy, and Kinetics of Ferric-No Complexes of Wild- Type and Mutant Enzymes Authors: Shimizu, H. / Obayashi, E. / Gomi, Y. / Arakawa, H. / Park, S.Y. / Nakamura, H. / Adachi, S. / Shoun, H. / Shiro, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jfb.cif.gz | 300.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jfb.ent.gz | 246.9 KB | Display | PDB format |
PDBx/mmJSON format | 1jfb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jf/1jfb ftp://data.pdbj.org/pub/pdb/validation_reports/jf/1jfb | HTTPS FTP |
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-Related 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: 44521.793 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Fusarium oxysporum (fungus) / Plasmid: pRSET-C / Production host: Escherichia coli (E. coli) / References: UniProt: P23295, nitric-oxide reductase |
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#2: Chemical | ChemComp-HEM / |
#3: Chemical | ChemComp-GOL / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.12 % | ||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 Details: PEG3350, MES, Glycerol, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K | ||||||||||||||||||||||||
Crystal grow | *PLUS Details: used microseeding / pH: 7 | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL44B2 / Wavelength: 0.7 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jan 1, 1999 |
Radiation | Monochromator: Si(111) flat / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.7 Å / Relative weight: 1 |
Reflection | Resolution: 1→100 Å / Num. all: 1745175 / Num. obs: 204021 / % possible obs: 98.1 % / Observed criterion σ(F): 0 / Redundancy: 8.5 % / Rmerge(I) obs: 0.046 / Net I/σ(I): 7.1 |
Reflection shell | Resolution: 1→1.05 Å / Redundancy: 6.8 % / Rmerge(I) obs: 0.262 / Mean I/σ(I) obs: 3.5 / Num. unique all: 29073 / % possible all: 96.6 |
Reflection | *PLUS Highest resolution: 1 Å / Lowest resolution: 100 Å / Num. measured all: 1745175 |
Reflection shell | *PLUS % possible obs: 96.6 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1→10 Å / Cross valid method: FREE R / σ(F): 0
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Refinement step | Cycle: LAST / Resolution: 1→10 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1 Å / Lowest resolution: 10 Å / Num. reflection obs: 38979 / σ(F): 0 / % reflection Rfree: 5 % / Rfactor obs: 0.102 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS |