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Yorodumi- PDB-3vmh: Oxygen-bound complex between oxygenase and ferredoxin in carbazol... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3vmh | ||||||
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Title | Oxygen-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase | ||||||
Components |
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Keywords | OXIDOREDUCTASE / Catalytic mechanism / Electron transfer complex / Rieske nonheme iron oxygenase system / Terminal oxygenase / Rieske-type ferredoxin / carbazole 1 / 9a-dioxygenase | ||||||
Function / homology | Function and homology information : / carbazole catabolic process / organonitrogen compound catabolic process / ferredoxin hydrogenase activity / dioxygenase activity / 2 iron, 2 sulfur cluster binding / oxidoreductase activity / metal ion binding Similarity search - Function | ||||||
Biological species | Janthinobacterium (bacteria) Pseudomonas resinovorans (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å | ||||||
Authors | Ashikawa, Y. / Nojiri, H. | ||||||
Citation | Journal: Bmc Struct.Biol. / Year: 2012 Title: Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase Authors: Ashikawa, Y. / Fujimoto, Z. / Usami, Y. / Inoue, K. / Noguchi, H. / Yamane, H. / Nojiri, H. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3vmh.cif.gz | 326.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3vmh.ent.gz | 261.4 KB | Display | PDB format |
PDBx/mmJSON format | 3vmh.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vm/3vmh ftp://data.pdbj.org/pub/pdb/validation_reports/vm/3vmh | HTTPS FTP |
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-Related structure data
Related structure data | 3vmgC 3vmiC 2de5S C: citing same article (ref.) S: Starting model for refinement |
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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
-Protein , 2 types, 6 molecules ABCDEF
#1: Protein | Mass: 44910.738 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Janthinobacterium (bacteria) / Strain: J3 / Gene: carAa / Plasmid: pEJ3AaC / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q84II6, EC: 1.14.12.22 #2: Protein | Mass: 12448.059 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas resinovorans (bacteria) / Strain: CA10 / Gene: carAc / Plasmid: pECAC1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q8GI16, EC: 1.14.12.22 |
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-Non-polymers , 4 types, 1242 molecules
#3: Chemical | #4: Chemical | ChemComp-FES / #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.62 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 0.1M ammonium acetate, 12.5% PEG 3350, 0.05M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jun 28, 2005 |
Radiation | Monochromator: Rotated-inclined double-crystal monochromator, liquid nitrogen cooling Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→50 Å / Num. obs: 150169 / % possible obs: 99.9 % / Biso Wilson estimate: 22.6 Å2 / Rmerge(I) obs: 0.06 |
Reflection shell | Resolution: 1.85→1.92 Å / Rmerge(I) obs: 0.363 / Num. unique all: 14838 / % possible all: 99.4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2DE5 Resolution: 1.85→47.61 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 2277080.5 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 45.5427 Å2 / ksol: 0.36181 e/Å3 | ||||||||||||||||||||||||
Displacement parameters | Biso mean: 32 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.85→47.61 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.85→1.97 Å / Rfactor Rfree error: 0.008 / Total num. of bins used: 6
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Xplor file |
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