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Yorodumi- PDB-4f86: Structure analysis of Geranyl diphosphate methyltransferase in co... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4f86 | ||||||
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Title | Structure analysis of Geranyl diphosphate methyltransferase in complex with GPP and sinefungin | ||||||
Components | Geranyl diphosphate 2-C-methyltransferase | ||||||
Keywords | TRANSFERASE / alpha/beta / Rossmann Fold / methyltransferase | ||||||
Function / homology | Function and homology information geranyl diphosphate 2-C-methyltransferase / C-methyltransferase activity / terpene metabolic process / S-adenosylmethionine-dependent methyltransferase activity / S-adenosyl-L-methionine binding / methylation / magnesium ion binding Similarity search - Function | ||||||
Biological species | Streptomyces lasaliensis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3 Å | ||||||
Authors | Ariyawutthiphan, O. / Ose, T. / Minami, A. / Gao, Y.G. / Yao, M. / Oikawa, H. / Tanaka, I. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2012 Title: Structure analysis of geranyl pyrophosphate methyltransferase and the proposed reaction mechanism of SAM-dependent C-methylation Authors: Ariyawutthiphan, O. / Ose, T. / Minami, A. / Sinde, S. / Tsuda, M. / Gao, Y.-G. / Yao, M. / Oikawa, H. / Tanaka, I. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4f86.cif.gz | 636.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4f86.ent.gz | 522.8 KB | Display | PDB format |
PDBx/mmJSON format | 4f86.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/f8/4f86 ftp://data.pdbj.org/pub/pdb/validation_reports/f8/4f86 | HTTPS FTP |
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-Related structure data
Related structure data | 4f84C 4f85C 3busS 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 35092.070 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces lasaliensis (bacteria) / Gene: gdpmt / Plasmid: pET26b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: D3KYU3, Transferases; Transferring one-carbon groups; Methyltransferases #2: Chemical | ChemComp-SFG / #3: Chemical | ChemComp-GPP / #4: Chemical | ChemComp-MG / |
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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: 2.58 Å3/Da / Density % sol: 52.24 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.7 Details: 1.3M lithium sulfate, 1mM sperminero, 30mM magnesium chloride, 50mM sodium cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 21, 2009 / Details: mirror |
Radiation | Monochromator: silicon / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 3→50 Å / Num. obs: 82669 / % possible obs: 96.3 % / Observed criterion σ(I): 0 / Redundancy: 3.5 % / Biso Wilson estimate: 39.5 Å2 / Rmerge(I) obs: 0.118 |
Reflection shell | Resolution: 3→3.05 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.359 / Mean I/σ(I) obs: 1.7 / Num. unique all: 4153 / % possible all: 95.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3bus Resolution: 3→46.51 Å / Rfactor Rfree error: 0.005 / Occupancy max: 1 / Occupancy min: 1 / Data cutoff high absF: 2735189 / Data cutoff low absF: 0 / Isotropic thermal model: OVERALL / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: -6.8095 Å2 / ksol: 0.25 e/Å3 | ||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 98.47 Å2 / Biso mean: 50.5488 Å2 / Biso min: 9.97 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 3→46.51 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 3→3.11 Å / Rfactor Rfree error: 0.022 / Total num. of bins used: 10
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Xplor file |
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