+Open data
-Basic information
Entry | Database: PDB / ID: 7ehe | ||||||
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Title | Acetolactate Synthase from Trichoderma harzianum | ||||||
Components | Acetolactate synthase | ||||||
Keywords | TRANSFERASE / Acetolactate Synthase / BGC / Harzianic acid | ||||||
Function / homology | Function and homology information pyruvate decarboxylase activity / acetolactate synthase / acetolactate synthase activity / valine biosynthetic process / isoleucine biosynthetic process / thiamine pyrophosphate binding / flavin adenine dinucleotide binding / magnesium ion binding Similarity search - Function | ||||||
Biological species | Trichoderma harzianum (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.28 Å | ||||||
Authors | Zang, X. / Tang, Y. / Zhou, J. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2021 Title: Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase. Authors: Xie, L. / Zang, X. / Cheng, W. / Zhang, Z. / Zhou, J. / Chen, M. / Tang, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7ehe.cif.gz | 245.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7ehe.ent.gz | 189.7 KB | Display | PDB format |
PDBx/mmJSON format | 7ehe.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/eh/7ehe ftp://data.pdbj.org/pub/pdb/validation_reports/eh/7ehe | HTTPS FTP |
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-Related structure data
Related structure data | 7egvC 6dekS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 75026.641 Da / Num. of mol.: 2 / Mutation: K601R, V615I, I627V Source method: isolated from a genetically manipulated source Source: (gene. exp.) Trichoderma harzianum (fungus) / Gene: CI102_2746 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: A0A2N1LPC4, acetolactate synthase #2: Chemical | #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.19 Å3/Da / Density % sol: 43.96 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion / Details: 18% PEG4000 0.2 M CaCl2 0.1 M Tris 8.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 0.97855 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Dec 13, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97855 Å / Relative weight: 1 |
Reflection | Resolution: 2.28→47.03 Å / Num. obs: 61042 / % possible obs: 100 % / Redundancy: 12.8 % / Biso Wilson estimate: 46.53 Å2 / CC1/2: 0.999 / Net I/σ(I): 15.4 |
Reflection shell | Resolution: 2.28→2.34 Å / Num. unique obs: 4441 / CC1/2: 0.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6DEK Resolution: 2.28→44.26 Å / SU ML: 0.3069 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.713 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 53.76 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.28→44.26 Å
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Refine LS restraints |
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LS refinement shell |
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