+Open data
-Basic information
Entry | Database: PDB / ID: 3a5s | ||||||
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Title | Benzalacetone synthase (I207L/L208F) | ||||||
Components | Benzalacetone synthase | ||||||
Keywords | TRANSFERASE / benzalacetone synthase / chalcone synthase / type III polyketide synthase / Acyltransferase | ||||||
Function / homology | Function and homology information benzalacetone synthase / flavonoid biosynthetic process / acyltransferase activity, transferring groups other than amino-acyl groups / protein homodimerization activity Similarity search - Function | ||||||
Biological species | Rheum palmatum (plant) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Morita, H. / Kato, R. / Abe, I. / Sugio, S. / Kohno, T. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2010 Title: A structure-based mechanism for benzalacetone synthase from Rheum palmatum Authors: Morita, H. / Shimokawa, Y. / Tanio, M. / Kato, R. / Noguchi, H. / Sugio, S. / Kohno, T. / Abe, I. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3a5s.cif.gz | 161.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3a5s.ent.gz | 127.6 KB | Display | PDB format |
PDBx/mmJSON format | 3a5s.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a5/3a5s ftp://data.pdbj.org/pub/pdb/validation_reports/a5/3a5s | HTTPS FTP |
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-Related structure data
Related structure data | 3a5qSC 3a5rC 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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Unit cell |
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-Components
#1: Protein | Mass: 42519.961 Da / Num. of mol.: 2 / Mutation: I207L, L208F Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rheum palmatum (plant) / Gene: bas / Plasmid: pQE80L / Production host: Escherichia coli (E. coli) / Strain (production host): M15 / References: UniProt: Q94FV7 #2: 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: 2.4 Å3/Da / Density % sol: 48.84 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.6 Details: 16% PEG8000, 0.1M sodium citrate, 0.15M potassium thiocyanate, pH5.6, VAPOR DIFFUSION, SITTING 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 210 / Detector: CCD / Date: Jul 8, 2008 |
Radiation | Monochromator: Si 111 Channel / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→30 Å / Num. all: 74279 / Num. obs: 74279 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.7 % / Rsym value: 0.073 / Net I/σ(I): 19.7 |
Reflection shell | Resolution: 1.8→1.86 Å / Redundancy: 3.5 % / Mean I/σ(I) obs: 4.4 / Num. unique all: 7375 / Rsym value: 0.275 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3A5Q Resolution: 1.8→30 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.8→30 Å
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