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Yorodumi- PDB-1on9: Transcarboxylase 12S crystal structure: hexamer assembly and subs... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1on9 | ||||||
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Title | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with hydrolyzed methylmalonyl-coenzyme a bound) | ||||||
Components | Methylmalonyl-CoA carboxyltransferase 12S subunit | ||||||
Keywords | TRANSFERASE / carboxyl transferase / domain duplication / multienzyme complex / transcarboxylase | ||||||
Function / homology | Function and homology information methylmalonyl-CoA carboxytransferase / methylmalonyl-CoA carboxytransferase activity / acetyl-CoA carboxylase complex / acetyl-CoA carboxylase activity / fatty acid biosynthetic process Similarity search - Function | ||||||
Biological species | Propionibacterium freudenreichii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MIR / Resolution: 2 Å | ||||||
Authors | Hall, P.R. / Wang, Y.-F. / Rivera-Hainaj, R.E. / Zheng, X. / Pustai-Carey, M. / Carey, P.R. / Yee, V.C. | ||||||
Citation | Journal: Embo J. / Year: 2003 Title: Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core Authors: Hall, P.R. / Wang, Y.-F. / Rivera-Hainaj, R.E. / Zheng, X. / Pustai-Carey, M. / Carey, P.R. / Yee, V.C. | ||||||
History |
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Remark 600 | HETEROGEN MMCoA - only a portion of the CoA entity could be modeled. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1on9.cif.gz | 661.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1on9.ent.gz | 534.1 KB | Display | PDB format |
PDBx/mmJSON format | 1on9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/on/1on9 ftp://data.pdbj.org/pub/pdb/validation_reports/on/1on9 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Components on special symmetry positions |
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Details | The biological assembly is a hexamer. |
-Components
#1: Protein | Mass: 56327.473 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Propionibacterium freudenreichii (bacteria) Plasmid: pUC19 / Production host: Escherichia coli (E. coli) / Strain (production host): JM109 References: UniProt: Q8GBW6, methylmalonyl-CoA carboxytransferase #2: Chemical | #3: Chemical | ChemComp-MCA / #4: Chemical | ChemComp-MPD / ( | #5: 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: 2.39 Å3/Da / Density % sol: 48.6 % | ||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.5 Details: MPD, sodium acetate, cadmium chloride, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K | ||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion | ||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 93 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 1 Å |
Detector | Type: CUSTOM-MADE / Detector: CCD / Date: Sep 18, 1999 |
Radiation | Monochromator: Si 220 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→30 Å / Num. obs: 234797 / % possible obs: 92.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Biso Wilson estimate: 12.9 Å2 / Rsym value: 0.059 / Net I/σ(I): 20 |
Reflection shell | Resolution: 1.9→1.97 Å / Redundancy: 2.9 % / Mean I/σ(I) obs: 4.9 / Num. unique all: 17439 / Rsym value: 0.202 / % possible all: 69.1 |
Reflection | *PLUS Lowest resolution: 30 Å / Rmerge(I) obs: 0.055 |
Reflection shell | *PLUS Highest resolution: 1.9 Å / % possible obs: 69.1 % / Rmerge(I) obs: 0.236 |
-Processing
Software |
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Refinement | Method to determine structure: MIR / Resolution: 2→29.55 Å / Rfactor Rfree error: 0.002 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: maximum likelihood target using amplitudes. WATERS 1-2 HAVE COORDINATION SPHERES REMINISCENT OF CATIONS, BUT COULD NOT BE DEFINITIVELY IDENTIFIED AS IONS BECAUSE THEIR B-FACTORS ARE NOT ...Details: maximum likelihood target using amplitudes. WATERS 1-2 HAVE COORDINATION SPHERES REMINISCENT OF CATIONS, BUT COULD NOT BE DEFINITIVELY IDENTIFIED AS IONS BECAUSE THEIR B-FACTORS ARE NOT UNREASONABLY LOW COMPARED TO THE SURROUNDING ATOMS, AND THERE ARE NO CORRESPONDING PEAKS IN THE ANOMALOUS DIFFERENCE DENSITY
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 48.669 Å2 / ksol: 0.337893 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→29.55 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.005 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Highest resolution: 2 Å / Lowest resolution: 30 Å | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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