[English] 日本語
Yorodumi- PDB-7fbo: geranyl pyrophosphate C6-methyltransferase BezA binding with S-ad... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7fbo | ||||||
---|---|---|---|---|---|---|---|
Title | geranyl pyrophosphate C6-methyltransferase BezA binding with S-adenosylhomocysteine | ||||||
Components | BezA | ||||||
Keywords | TRANSFERASE / methyltransferase geranyl pyrophosphate S-adenosylhomocysteine | ||||||
Function / homology | S-ADENOSYL-L-HOMOCYSTEINE Function and homology information | ||||||
Biological species | Streptomyces sp. RI-18-2 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.56 Å | ||||||
Authors | Tsutsumi, H. / Moriwaki, Y. / Terada, T. / Shimizu, K. / Katsuyama, Y. / Ohnishi, Y. | ||||||
Funding support | Japan, 1items
| ||||||
Citation | Journal: Angew.Chem.Int.Ed.Engl. / Year: 2022 Title: Structural and Molecular Basis of the Catalytic Mechanism of Geranyl Pyrophosphate C6-Methyltransferase: Creation of an Unprecedented Farnesyl Pyrophosphate C6-Methyltransferase. Authors: Tsutsumi, H. / Moriwaki, Y. / Terada, T. / Shimizu, K. / Shin-Ya, K. / Katsuyama, Y. / Ohnishi, Y. #1: Journal: J Am Chem Soc / Year: 2018 Title: Unprecedented Cyclization Catalyzed by a Cytochrome P450 in Benzastatin Biosynthesis. Authors: Tsutsumi, H. / Katsuyama, Y. / Izumikawa, M. / Takagi, M. / Fujie, M. / Satoh, N. / Shin-Ya, K. / Ohnishi, Y. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 7fbo.cif.gz | 222.6 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb7fbo.ent.gz | 143.7 KB | Display | PDB format |
PDBx/mmJSON format | 7fbo.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fb/7fbo ftp://data.pdbj.org/pub/pdb/validation_reports/fb/7fbo | HTTPS FTP |
---|
-Related structure data
Related structure data | 7fbhSC S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||||||
Unit cell |
| ||||||||||||
Components on special symmetry positions |
|
-Components
#1: Protein | Mass: 33605.676 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces sp. RI-18-2 (bacteria) / Plasmid: pColdI / Production host: Escherichia coli B (bacteria) / Strain (production host): BL21(DE3) #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.48 % |
---|---|
Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 0.1 M HEPES (pH 7.5), 25% PEG3350, 0.2 M CH3COONH4. 0.01 M spermine tetrahydrochloride Soaking using 0.1 M HEPES (pH7.5), 35% PEG3350, 1.0 mM SAH. |
-Data collection
Diffraction | Mean temperature: 95 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-1A / Wavelength: 1 Å |
Detector | Type: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Jun 3, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.56→50.34 Å / Num. obs: 30941 / % possible obs: 100 % / Redundancy: 7.5 % / Biso Wilson estimate: 40.1 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.15 / Rpim(I) all: 0.055 / Rrim(I) all: 0.15 / Net I/σ(I): 11.2 |
Reflection shell | Resolution: 2.56→2.67 Å / Redundancy: 7.8 % / Rmerge(I) obs: 0.864 / Mean I/σ(I) obs: 2.5 / Num. unique obs: 3824 / CC1/2: 0.835 / Rpim(I) all: 0.33 / Rrim(I) all: 0.926 / % possible all: 100 |
-Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 7FBH Resolution: 2.56→50.34 Å / SU ML: 0.3289 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 26.0371 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 44.08 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.56→50.34 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell |
|