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Yorodumi- PDB-4w4s: Crystal structure of ent-kaurene synthase BJKS from bradyrhizobiu... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4w4s | |||||||||
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Title | Crystal structure of ent-kaurene synthase BJKS from bradyrhizobium japonicum in complex with BPH-629 | |||||||||
Components | Uncharacterized protein blr2150 | |||||||||
Keywords | BIOSYNTHETIC PROTEIN / ALPHA DOMAIN / KAURENE CYCLIZATION / ENT-CPP | |||||||||
Function / homology | Terpene synthase family 2, C-terminal metal binding / Isoprenoid synthase domain superfamily / Chem-B29 / Uncharacterized protein blr2150 Function and homology information | |||||||||
Biological species | Bradyrhizobium diazoefficiens USDA 110 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MIR / Resolution: 2 Å | |||||||||
Authors | Liu, W. / Zheng, Y. / Huang, C.H. / Guo, R.T. | |||||||||
Citation | Journal: Sci Rep / Year: 2014 Title: Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Authors: Liu, W. / Feng, X. / Zheng, Y. / Huang, C.H. / Nakano, C. / Hoshino, T. / Bogue, S. / Ko, T.P. / Chen, C.C. / Cui, Y. / Li, J. / Wang, I. / Hsu, S.T. / Oldfield, E. / Guo, R.T. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4w4s.cif.gz | 127.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4w4s.ent.gz | 98.5 KB | Display | PDB format |
PDBx/mmJSON format | 4w4s.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4w4s_validation.pdf.gz | 768.3 KB | Display | wwPDB validaton report |
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Full document | 4w4s_full_validation.pdf.gz | 783.2 KB | Display | |
Data in XML | 4w4s_validation.xml.gz | 27.1 KB | Display | |
Data in CIF | 4w4s_validation.cif.gz | 39 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/w4/4w4s ftp://data.pdbj.org/pub/pdb/validation_reports/w4/4w4s | HTTPS FTP |
-Related 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: 33417.996 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bradyrhizobium diazoefficiens USDA 110 (bacteria) Gene: blr2150 / Plasmid: PET-42B / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: Q45222 #2: Chemical | ChemComp-B29 / [ | #3: 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: 2.2 Å3/Da / Density % sol: 43.99 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.7M AMMONIUM TARTRATE DIBASIC PH 7.0, 2-4% W/V PEG 4000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K PH range: 7 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13C1 / Wavelength: 0.97622 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 16, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97622 Å / Relative weight: 1 |
Reflection | Resolution: 2→25 Å / Num. obs: 38697 / % possible obs: 94.6 % / Redundancy: 3.4 % / Rmerge(I) obs: 0.039 / Net I/σ(I): 29.2 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.39 / % possible all: 94.6 |
-Processing
Software |
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Refinement | Method to determine structure: MIR / Resolution: 2→25 Å
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Refinement step | Cycle: 1 / Resolution: 2→25 Å
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LS refinement shell | Resolution: 2→2.07 Å
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