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- PDB-1t9b: Crystal structure of yeast acetohydroxyacid synthase in complex w... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1t9b | ||||||
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Title | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron | ||||||
![]() | Acetolactate synthase, mitochondrial | ||||||
![]() | TRANSFERASE / acetohydroxyacid synthase / acetolactate synthase / herbicide / sulfonylurea / thiamin diphosphate / FAD / inhibitor / chlorsulfuron | ||||||
Function / homology | ![]() acetolactate synthase / acetolactate synthase complex / branched-chain amino acid biosynthetic process / acetolactate synthase activity / valine biosynthetic process / isoleucine biosynthetic process / thiamine pyrophosphate binding / amino acid biosynthetic process / flavin adenine dinucleotide binding / magnesium ion binding / mitochondrion Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | McCourt, J.A. / Pang, S.S. / Guddat, L.W. / Duggleby, R.G. | ||||||
![]() | ![]() Title: Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Authors: McCourt, J.A. / Pang, S.S. / Guddat, L.W. / Duggleby, R.G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 281.1 KB | Display | ![]() |
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PDB format | ![]() | 218.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 61.5 KB | Display | |
Data in CIF | ![]() | 92.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1t9aC ![]() 1t9cC ![]() 1t9dC ![]() 1n0hS 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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1 |
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Unit cell |
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Details | The asymmetric unit contains the minimum biological unit required for activity, a dimer. |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 73597.656 Da / Num. of mol.: 2 / Fragment: Catalytic Subunit Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: ILV2, SMR1, YMR108W, YM9718.07 / Plasmid: pET30(c) / Species (production host): Escherichia coli / Production host: ![]() ![]() |
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-Non-polymers , 9 types, 1372 molecules ![](data/chem/img/K.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/1CS.gif)
![](data/chem/img/FAD.gif)
![](data/chem/img/NSP.gif)
![](data/chem/img/P22.gif)
![](data/chem/img/YF3.gif)
![](data/chem/img/P25.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/1CS.gif)
![](data/chem/img/FAD.gif)
![](data/chem/img/NSP.gif)
![](data/chem/img/P22.gif)
![](data/chem/img/YF3.gif)
![](data/chem/img/P25.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | #4: Chemical | #5: Chemical | #6: Chemical | ChemComp-NSP / | #7: Chemical | ChemComp-P22 / | #8: Chemical | ChemComp-YF3 / | #9: Chemical | ChemComp-P25 / | #10: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.53 Å3/Da / Density % sol: 65 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 7 Details: potassium phosphate, thiamin diphosphate, FAD, magnesium chloride, DTT, chlorsulfuron, Tris-HCl, Lithium sulfate, sodium potassium tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Dec 12, 2002 / Details: mirrors |
Radiation | Monochromator: GE (III) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9 Å / Relative weight: 1 |
Reflection | Resolution: 2.19→99 Å / Num. obs: 102885 / % possible obs: 92.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 5.3 % / Rmerge(I) obs: 0.058 / Net I/σ(I): 17 |
Reflection shell | Resolution: 2.19→2.28 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.219 / Mean I/σ(I) obs: 4.11 / Num. unique all: 5842 / % possible all: 53.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1N0H Resolution: 2.2→50 Å / Isotropic thermal model: ISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 51.2 Å2 | |||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.2→50 Å
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LS refinement shell | Resolution: 2.2→2.28 Å
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