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- PDB-3a5r: Benzalacetone synthase from Rheum palmatum complexed with 4-couma... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3a5r | ||||||
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Title | Benzalacetone synthase from Rheum palmatum complexed with 4-coumaroyl-primed monoketide intermediate | ||||||
![]() | Benzalacetone synthase | ||||||
![]() | TRANSFERASE / benzalacetone synthase / chalcone synthase / type III polyketide synthase / Acyltransferase | ||||||
Function / homology | ![]() benzalacetone synthase / flavonoid biosynthetic process / polyketide biosynthetic process / acyltransferase activity, transferring groups other than amino-acyl groups / protein homodimerization activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Morita, H. / Kato, R. / Abe, I. / Sugio, S. / Kohno, T. | ||||||
![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 167 KB | Display | ![]() |
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PDB format | ![]() | 130.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 446 KB | Display | ![]() |
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Full document | ![]() | 449.4 KB | Display | |
Data in XML | ![]() | 32.4 KB | Display | |
Data in CIF | ![]() | 48.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3a5qSC ![]() 3a5sC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 42485.941 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.59 % |
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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, Socking: 16% PEG8000, 0.1M sodium citrate, 0.15M potassium thiocyanate, 2mM 4-coumaroyl-CoA, pH5.6, VAPOR DIFFUSION, SITTING ...Details: 16% PEG8000, 0.1M sodium citrate, 0.15M potassium thiocyanate, Socking: 16% PEG8000, 0.1M sodium citrate, 0.15M potassium thiocyanate, 2mM 4-coumaroyl-CoA, pH5.6, VAPOR DIFFUSION, SITTING DROP, socking, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RIGAKU RAXIS V / Detector: IMAGE PLATE / Date: Nov 29, 2007 |
Radiation | Monochromator: bending magnet / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.82656 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→30 Å / Num. all: 100874 / Num. obs: 100874 / % possible obs: 99.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.7 % / Rsym value: 0.071 / Net I/σ(I): 32.1 |
Reflection shell | Resolution: 1.6→1.66 Å / Redundancy: 3.6 % / Mean I/σ(I) obs: 8.3 / Num. unique all: 10022 / Rsym value: 0.229 / % possible all: 99.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 3A5Q Resolution: 1.6→30 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.6→30 Å
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