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Open data
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Basic information
Entry | Database: PDB / ID: 6a16 | ||||||
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Title | Crystal structure of CYP90B1 in complex with uniconazole | ||||||
![]() | Cytochrome P450 90B1 | ||||||
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Function / homology | ![]() steroid 22S-hydroxylase / steroid 22-alpha hydroxylase activity / brassinosteroid biosynthetic process / fatty acid alpha-hydroxylase activity / leaf shaping / response to brassinosteroid / unidimensional cell growth / jasmonic acid mediated signaling pathway / leaf development / response to jasmonic acid ...steroid 22S-hydroxylase / steroid 22-alpha hydroxylase activity / brassinosteroid biosynthetic process / fatty acid alpha-hydroxylase activity / leaf shaping / response to brassinosteroid / unidimensional cell growth / jasmonic acid mediated signaling pathway / leaf development / response to jasmonic acid / sterol metabolic process / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / iron ion binding / ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Fujiyama, K. / Hino, T. / Kanadani, M. / Mizutani, M. / Nagano, S. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Authors: Fujiyama, K. / Hino, T. / Kanadani, M. / Watanabe, B. / Jae Lee, H. / Mizutani, M. / Nagano, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 119.2 KB | Display | ![]() |
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PDB format | ![]() | 87.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 56490.469 Da / Num. of mol.: 1 / Mutation: M1-L28 was substituted with MA, P506L Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() References: UniProt: O64989, ![]() |
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-Non-polymers , 5 types, 348 molecules ![](data/chem/img/HEM.gif)
![](data/chem/img/UCZ.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/UCZ.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-HEM / ![]() | ||||
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#3: Chemical | ChemComp-UCZ / ( | ||||
#4: Chemical | ![]() #5: Chemical | ![]() #6: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.37 Å3/Da / Density % sol: 48.04 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.20 M potassium chloride, 0.40 M sodium chloride, 22%(w/v) PEG3,350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX-225 / Detector: CCD / Date: Oct 27, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.998→45.57 Å / Num. obs: 35966 / % possible obs: 99.4 % / Redundancy: 3.8 % / Biso Wilson estimate: 19.17 Å2 / CC1/2: 0.986 / Rmerge(I) obs: 0.1534 / Rrim(I) all: 0.1792 / Net I/σ(I): 9.16 |
Reflection shell | Resolution: 1.998→2.07 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.7386 / Num. unique obs: 3473 / CC1/2: 0.639 / Rrim(I) all: 0.8625 / % possible all: 97.61 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.998→45.567 Å
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Refine LS restraints |
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LS refinement shell |
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