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Yorodumi- PDB-1ozh: The crystal structure of Klebsiella pneumoniae acetolactate synth... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1ozh | ||||||
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Title | The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate. | ||||||
Components | Acetolactate synthase, catabolic | ||||||
Keywords | LYASE / acetolactate synthase / acetohydroxyacid synthase / thiamin diphosphate | ||||||
Function / homology | Function and homology information butanediol metabolic process / acetolactate synthase / acetolactate synthase complex / acetolactate synthase activity / valine biosynthetic process / isoleucine biosynthetic process / thiamine pyrophosphate binding / flavin adenine dinucleotide binding / magnesium ion binding Similarity search - Function | ||||||
Biological species | Klebsiella pneumoniae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Pang, S.S. / Duggleby, R.G. / Schowen, R.L. / Guddat, L.W. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate. Authors: Pang, S.S. / Duggleby, R.G. / Schowen, R.L. / Guddat, L.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ozh.cif.gz | 447.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ozh.ent.gz | 358.2 KB | Display | PDB format |
PDBx/mmJSON format | 1ozh.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1ozh_validation.pdf.gz | 1.6 MB | Display | wwPDB validaton report |
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Full document | 1ozh_full_validation.pdf.gz | 1.6 MB | Display | |
Data in XML | 1ozh_validation.xml.gz | 94.5 KB | Display | |
Data in CIF | 1ozh_validation.cif.gz | 133.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/oz/1ozh ftp://data.pdbj.org/pub/pdb/validation_reports/oz/1ozh | HTTPS FTP |
-Related structure data
Related structure data | 1n0hC 1ozfC 1ozgC 1jscS C: citing same article (ref.) S: Starting model for refinement |
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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
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 61355.766 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Klebsiella pneumoniae (bacteria) / Gene: BUDB OR ILVK / Plasmid: pET30a(+) / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P27696, EC: 4.1.3.18 |
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-Non-polymers , 6 types, 1354 molecules
#2: Chemical | ChemComp-PO4 / #3: Chemical | ChemComp-MG / #4: Chemical | #5: Chemical | ChemComp-HE3 / #6: Chemical | ChemComp-PEG / #7: Water | ChemComp-HOH / | |
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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: 2.51 Å3/Da / Density % sol: 50.64 % | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 7.6 Details: PEG 8000, ethylene glycol, sodium HEPES, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 17 ℃ / pH: 7 / Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 14-BM-D / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Feb 22, 2002 / Details: mirrors |
Radiation | Monochromator: Si 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2→100 Å / Num. all: 153254 / Num. obs: 153254 / % possible obs: 93.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 1.9 % / Rsym value: 0.03 / Net I/σ(I): 29.2 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 1.5 % / Mean I/σ(I) obs: 4.6 / Num. unique all: 11633 / Rsym value: 0.14 / % possible all: 71.3 |
Reflection | *PLUS Lowest resolution: 100 Å / Num. measured all: 285040 / Rmerge(I) obs: 0.03 |
Reflection shell | *PLUS % possible obs: 71.3 % / Num. unique obs: 11633 / Num. measured obs: 17104 / Rmerge(I) obs: 0.14 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 1JSC Resolution: 2→100 Å / Isotropic thermal model: anisotropic / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 34.02 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→100 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.07 Å
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Refinement | *PLUS Lowest resolution: 100 Å | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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