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Yorodumi- PDB-5xk7: Crystal structure of Isosesquilavandulyl Diphosphate Synthase fro... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5xk7 | ||||||
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Title | Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with DMAPP | ||||||
Components | Undecaprenyl diphosphate synthase | ||||||
Keywords | TRANSFERASE / prenyltransferase / antibiotic biosynthesis | ||||||
Function / homology | Decaprenyl diphosphate synthase-like / Putative undecaprenyl diphosphate synthase / Decaprenyl diphosphate synthase-like superfamily / transferase activity, transferring alkyl or aryl (other than methyl) groups / DIMETHYLALLYL DIPHOSPHATE / PYROPHOSPHATE 2- / Undecaprenyl diphosphate synthase Function and homology information | ||||||
Biological species | Streptomyces sp. CNH189 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.911 Å | ||||||
Authors | Ko, T.P. / Guo, R.T. / Liu, W. / Chen, C.C. / Gao, J. | ||||||
Citation | Journal: Angew. Chem. Int. Ed. Engl. / Year: 2018 Title: "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase. Authors: Gao, J. / Ko, T.P. / Chen, L. / Malwal, S.R. / Zhang, J. / Hu, X. / Qu, F. / Liu, W. / Huang, J.W. / Cheng, Y.S. / Chen, C.C. / Yang, Y. / Zhang, Y. / 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 | 5xk7.cif.gz | 397.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5xk7.ent.gz | 326.5 KB | Display | PDB format |
PDBx/mmJSON format | 5xk7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xk/5xk7 ftp://data.pdbj.org/pub/pdb/validation_reports/xk/5xk7 | HTTPS FTP |
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-Related structure data
Related structure data | 5xk3SC 5xk6C 5xk8C 5xk9C S: Starting model for refinement C: citing same article (ref.) |
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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
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 26708.215 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces sp. CNH189 (bacteria) / Gene: mcl22 / Plasmid: pET46Ek/LIC Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: M4T4U9 |
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-Non-polymers , 6 types, 922 molecules
#2: Chemical | ChemComp-MG / #3: Chemical | ChemComp-POP / #4: Chemical | ChemComp-MES / #5: Chemical | #6: Chemical | #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: 2.42 Å3/Da / Density % sol: 49.23 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop Details: PROTEIN: 10 mg/mL in 25 mM Tris-Cl (pH 7.5) and 150 mM NaCl RESERVOIR: 0.2 M (NH4)2SO4, 0.1 M MES pH 6.5, 30% PEG 5000MME SOAK: 5 mM MgCl2, 5 mM (NH4)4P2O7, 0.1 M MES pH 6.5, 30% PEG 5000MME, 10 mM DMAPP |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL15A1 / Wavelength: 1 Å |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Feb 17, 2017 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.91→25 Å / Num. obs: 79758 / % possible obs: 98.5 % / Redundancy: 3.2 % / CC1/2: 0.998 / Rmerge(I) obs: 0.048 / Net I/σ(I): 27.8 |
Reflection shell | Resolution: 1.91→1.98 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.459 / Mean I/σ(I) obs: 2.7 / Num. unique obs: 7741 / CC1/2: 0.958 / % possible all: 97.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5XK3 Resolution: 1.911→24.729 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 20.97
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.911→24.729 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 7.9075 Å / Origin y: 73.7212 Å / Origin z: 44.5425 Å
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Refinement TLS group | Selection details: all |