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Yorodumi- PDB-3el3: Distinct Monooxygenase and Farnesene Synthase Active Sites in Cyt... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3el3 | ||||||
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Title | Distinct Monooxygenase and Farnesene Synthase Active Sites in Cytochrome P450 170A1 | ||||||
Components | Putative cytochrome P450 | ||||||
Keywords | OXIDOREDUCTASE / streptomyces / Cytochrome P450 oxidoreductase / CYP170A1 / antibiotic biosynthesis / farnesene synthase / Heme / Iron / Metal-binding / Monooxygenase | ||||||
Function / homology | Function and homology information epi-isozizaene 5-monooxygenase / beta-farnesene synthase / sesquiterpene synthase activity / sesquiterpene biosynthetic process / ketone biosynthetic process / terpene synthase activity / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / antibiotic biosynthetic process / monooxygenase activity / iron ion binding ...epi-isozizaene 5-monooxygenase / beta-farnesene synthase / sesquiterpene synthase activity / sesquiterpene biosynthetic process / ketone biosynthetic process / terpene synthase activity / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / antibiotic biosynthetic process / monooxygenase activity / iron ion binding / heme binding / cytosol Similarity search - Function | ||||||
Biological species | Streptomyces coelicolor (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å | ||||||
Authors | Zhao, B. / Waterman, M.R. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2009 Title: Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site Authors: Zhao, B. / Lei, L. / Vassylyev, D.G. / Lin, X. / Cane, D.E. / Kelly, S.L. / Yuan, H. / Lamb, D.C. / Waterman, M.R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3el3.cif.gz | 175.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3el3.ent.gz | 138.5 KB | Display | PDB format |
PDBx/mmJSON format | 3el3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3el3_validation.pdf.gz | 1 MB | Display | wwPDB validaton report |
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Full document | 3el3_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 3el3_validation.xml.gz | 42 KB | Display | |
Data in CIF | 3el3_validation.cif.gz | 55 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/el/3el3 ftp://data.pdbj.org/pub/pdb/validation_reports/el/3el3 | HTTPS FTP |
-Related structure data
Related structure data | 3dbgSC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 51837.141 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces coelicolor (bacteria) / Plasmid: pET17b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9K498 #2: Chemical | #3: Chemical | ChemComp-EL3 / ( |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 8 |
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-Sample preparation
Crystal | Density Matthews: 2.28 Å3/Da / Density % sol: 46.08 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 2.0 M ammonium sulphate, 0.1M Tris-HCl pH7.0, 1mM epi-isozizaene, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 1 Å |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jun 19, 2008 |
Radiation | Monochromator: Si 220 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 3.3→50 Å / Num. obs: 12957 / % possible obs: 80.1 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 3.7 % / Rmerge(I) obs: 0.064 / Rsym value: 0.039 |
Reflection shell | Resolution: 3.3→3.41 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.244 / Mean I/σ(I) obs: 2.37 / Num. unique all: 1024 / Rsym value: 0.259 / % possible all: 64.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 3DBG Resolution: 3.3→35.48 Å / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0.2 / σ(I): 0.2 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 88.52 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 3.3→35.48 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 3.3→3.45 Å / Rfactor Rfree error: 0.01
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