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- PDB-8ea1: Structure of kudzu 2-hydroxyisoflavanone dehydratase in complex w... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8ea1 | ||||||
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Title | Structure of kudzu 2-hydroxyisoflavanone dehydratase in complex with P-NITROPHENOL | ||||||
![]() | 2-hydroxyisoflavanone dehydratase | ||||||
![]() | PLANT PROTEIN / dehydratase / dehydration / carboxylesterase / Pueraria lobata | ||||||
Function / homology | Lipase, GDXG, putative histidine active site / Lipolytic enzymes "G-D-X-G" family, putative histidine active site. / Alpha/beta hydrolase fold-3 / alpha/beta hydrolase fold / Alpha/Beta hydrolase fold / hydrolase activity / P-NITROPHENOL / 2-hydroxyisoflavanone dehydratase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Pan, H. / Wang, X. | ||||||
Funding support | 1items
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![]() | ![]() Title: The protein conformational basis of isoflavone biosynthesis. Authors: Wang, X. / Pan, H. / Sagurthi, S. / Paris, V. / Zhuo, C. / Dixon, R.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 158.7 KB | Display | ![]() |
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PDB format | ![]() | 108.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 680.6 KB | Display | ![]() |
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Full document | ![]() | 680.8 KB | Display | |
Data in XML | ![]() | 13.6 KB | Display | |
Data in CIF | ![]() | 18.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8e83C ![]() 8ea2C ![]() 2o7rS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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: 38919.984 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Plasmid: pDEST17 / Production host: ![]() ![]() |
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#2: Chemical | ChemComp-NPO / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.01 Å3/Da / Density % sol: 59.12 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 18% PEG3350, 0.1 M HEPES pH7.5 |
-Data collection
Diffraction | Mean temperature: 93 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Mar 16, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.29→50 Å / Num. obs: 19522 / % possible obs: 99.8 % / Redundancy: 10.9 % / Biso Wilson estimate: 51.67 Å2 / CC1/2: 0.86 / Rmerge(I) obs: 0.054 / Net I/σ(I): 42.2 |
Reflection shell | Resolution: 2.3→2.38 Å / Redundancy: 11.1 % / Rmerge(I) obs: 0.548 / Mean I/σ(I) obs: 5 / Num. unique obs: 1912 / CC1/2: 0.78 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2O7R Resolution: 2.29→30.36 Å / SU ML: 0.2849 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.719 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 58.36 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.29→30.36 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 34.4561170985 Å / Origin y: 14.8050858067 Å / Origin z: -0.543461019972 Å
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Refinement TLS group | Selection details: all |