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- PDB-1jsc: Crystal Structure of the Catalytic Subunit of Yeast Acetohydroxya... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1jsc | ||||||
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Title | Crystal Structure of the Catalytic Subunit of Yeast Acetohydroxyacid Synthase: A target for Herbicidal Inhibitors | ||||||
![]() | ACETOHYDROXY-ACID SYNTHASE | ||||||
![]() | LYASE / ACETOHYDROXYACID SYNTHASE / ACETOLACTATE SYNTHASE / FAD / THIAMIN DIPHOSPHATE / HERBICIDE INHIBITION | ||||||
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 | ![]() ![]() ![]() | ||||||
![]() | Pang, S.S. / Duggleby, R.G. / Guddat, L.W. | ||||||
![]() | ![]() Title: Crystal structure of yeast acetohydroxyacid synthase: a target for herbicidal inhibitors. Authors: Pang, S.S. / Duggleby, R.G. / Guddat, L.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 232.8 KB | Display | ![]() |
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PDB format | ![]() | 181.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.4 MB | Display | ![]() |
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Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 46.1 KB | Display | |
Data in CIF | ![]() | 63.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1bfdS S: Starting model for refinement |
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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
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 68453.000 Da / Num. of mol.: 2 / Fragment: MATURE CATALYTIC SUBUNIT Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: ILV2 / Plasmid: pET30C / Species (production host): Escherichia coli / Production host: ![]() ![]() |
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-Non-polymers , 6 types, 336 molecules ![](data/chem/img/K.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/2HP.gif)
![](data/chem/img/TPP.gif)
![](data/chem/img/FAD.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/2HP.gif)
![](data/chem/img/TPP.gif)
![](data/chem/img/FAD.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | #4: Chemical | #5: Chemical | #6: Chemical | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.62 Å3/Da / Density % sol: 66.1 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 5.8 Details: PEG 4000, potassium phosphate, thiamin diphosphate, FAD, magnesium chloride, DTT, ammonium acetate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 293 K / Details: Pang, S.S., (2001) Acta Crystallogr, D57, 1321. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Dec 17, 2000 / Details: mirrors |
Radiation | Monochromator: Ge(III) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→50 Å / Num. all: 214515 / Num. obs: 214515 / % possible obs: 97.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.7 % / Rmerge(I) obs: 0.058 / Net I/σ(I): 17.1 |
Reflection shell | Resolution: 2.6→2.69 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.301 / Mean I/σ(I) obs: 3.9 / Num. unique all: 5733 / % possible all: 99.2 |
Reflection | *PLUS Num. obs: 57490 / Num. measured all: 214515 / Rmerge(I) obs: 0.058 |
Reflection shell | *PLUS % possible obs: 99.2 % / Num. unique obs: 5733 / Num. measured obs: 20596 / Rmerge(I) obs: 0.301 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1BFD Resolution: 2.6→100 Å / Isotropic thermal model: anisotropic / Cross valid method: R free throughout / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: Jiang et al. / Bsol: -1 Å2 / ksol: -1 e/Å3 | |||||||||||||||||||||||||
Displacement parameters |
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.6→100 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.6→2.7 Å / Rfactor Rfree error: 0
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Refinement | *PLUS Highest resolution: 2.6 Å / Lowest resolution: 50 Å / Rfactor all: 0.191 / Rfactor obs: 0.188 / Rfactor Rfree: 0.219 / Rfactor Rwork: 0.188 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Highest resolution: 2.6 Å / Lowest resolution: 2.69 Å / Rfactor Rfree: 0.267 / Rfactor Rwork: 0.247 |