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Yorodumi- PDB-2v0g: LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A... -
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-Basic information
Entry | Database: PDB / ID: 2v0g | ||||||
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Title | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A tRNA(leu) transcript with 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) forming an adduct to the ribose of adenosine- 76 in the enzyme editing site. | ||||||
Components |
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Keywords | LIGASE / CLASS I AMINOACYL- TRNA SYNTHETASE / PROTEIN BIOSYNTHESIS / AMINOACYL-TRNA SYNTHETASE / ATP + L-LEUCINE + TRNA (LEU) GIVES AMP + PPI L-LEUCYL-TRNA SYNTHETASE / METAL-BINDING / NUCLEOTIDE-BINDING ZINC / EDITING / SYNTHETASE / ATP-BINDING | ||||||
Function / homology | Function and homology information leucine-tRNA ligase / leucine-tRNA ligase activity / leucyl-tRNA aminoacylation / aminoacyl-tRNA editing activity / ATP binding / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | THERMUS THERMOPHILUS (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.5 Å | ||||||
Authors | Rock, F. / Mao, W. / Yaremchuk, A. / Tukalo, M. / Crepin, T. / Zhou, H. / Zhang, Y. / Hernandez, V. / Akama, T. / Baker, S. ...Rock, F. / Mao, W. / Yaremchuk, A. / Tukalo, M. / Crepin, T. / Zhou, H. / Zhang, Y. / Hernandez, V. / Akama, T. / Baker, S. / Plattner, J. / Shapiro, L. / Martinis, S.A. / Benkovic, S.J. / Cusack, S. / Alley, M.R.K. | ||||||
Citation | Journal: Science / Year: 2007 Title: An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site. Authors: Rock, F. / Mao, W. / Yaremchuk, A. / Tukalo, M. / Crepin, T. / Zhou, H. / Zhang, Y. / Hernandez, V. / Akama, T. / Baker, S. / Plattner, J. / Shapiro, L. / Martinis, S.A. / Benkovic, S.J. / ...Authors: Rock, F. / Mao, W. / Yaremchuk, A. / Tukalo, M. / Crepin, T. / Zhou, H. / Zhang, Y. / Hernandez, V. / Akama, T. / Baker, S. / Plattner, J. / Shapiro, L. / Martinis, S.A. / Benkovic, S.J. / Cusack, S. / Alley, M.R.K. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2v0g.cif.gz | 444.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2v0g.ent.gz | 353.4 KB | Display | PDB format |
PDBx/mmJSON format | 2v0g.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/v0/2v0g ftp://data.pdbj.org/pub/pdb/validation_reports/v0/2v0g | HTTPS FTP |
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-Related structure data
Related structure data | 2v0cC 2bytS 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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.548828, -0.019476, 0.835708), Vector: |
-Components
-Protein / RNA chain , 2 types, 4 molecules ADBF
#1: Protein | Mass: 101170.148 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) THERMUS THERMOPHILUS (bacteria) / Strain: HB-27 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q7SIE4 #2: RNA chain | Mass: 27030.953 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: TRNALEU TRANSCRIPT WITH ANTICODON CAG / Source: (synth.) THERMUS THERMOPHILUS (bacteria) |
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-Non-polymers , 4 types, 18 molecules
#3: Chemical | #4: Chemical | ChemComp-ZN / #5: Chemical | #6: Chemical | ChemComp-SO4 / |
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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: 3.9 Å3/Da / Density % sol: 68 % |
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Crystal grow | Details: 5MG/ML LEUCYL-TRNA SYNTHETASE, MOLAR RATIO PROTEIN:TRNA 1.0:1.2 5MM L-LEUCINE, 15MM MGCL2, 50MM MES PH6.5, 0.8M AMMONIUM SULPHATE AGAINST RESERVOIR CONTAINING 1.5M AMMONIUM SULPHATE AND 0.1M MES PH6.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.939 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Mar 20, 2006 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.939 Å / Relative weight: 1 |
Reflection | Resolution: 3.5→50 Å / Num. obs: 138057 / % possible obs: 94.9 % / Observed criterion σ(I): 0 / Redundancy: 3 % / Rmerge(I) obs: 0.12 / Net I/σ(I): 9 |
Reflection shell | Resolution: 3.5→3.6 Å / Redundancy: 2.95 % / Rmerge(I) obs: 0.45 / Mean I/σ(I) obs: 2.69 / % possible all: 96.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2BYT Resolution: 3.5→152.5 Å / Cor.coef. Fo:Fc: 0.883 / Cor.coef. Fo:Fc free: 0.817 / SU B: 39.399 / SU ML: 0.629 / Cross valid method: THROUGHOUT / ESU R Free: 0.724 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 66.29 Å2
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Refinement step | Cycle: LAST / Resolution: 3.5→152.5 Å
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Refine LS restraints |
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