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Yorodumi- PDB-4ng4: Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii -
+Open data
-Basic information
Entry | Database: PDB / ID: 4ng4 | ||||||
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Title | Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii | ||||||
Components | Phosphoglycerate kinase | ||||||
Keywords | TRANSFERASE / phosphoglycerate kinase | ||||||
Function / homology | Function and homology information phosphoglycerate kinase / phosphoglycerate kinase activity / positive regulation of oxidative phosphorylation / ADP binding / gluconeogenesis / glycolytic process / ATP binding / cytosol Similarity search - Function | ||||||
Biological species | Coxiella burnetii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.78 Å | ||||||
Authors | Franklin, M.C. / Cheung, J. / Rudolph, M. / Cassidy, M. / Gary, E. / Burshteyn, F. / Love, J. | ||||||
Citation | Journal: Proteins / Year: 2015 Title: Structural genomics for drug design against the pathogen Coxiella burnetii. Authors: Franklin, M.C. / Cheung, J. / Rudolph, M.J. / Burshteyn, F. / Cassidy, M. / Gary, E. / Hillerich, B. / Yao, Z.K. / Carlier, P.R. / Totrov, M. / Love, J.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4ng4.cif.gz | 446.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4ng4.ent.gz | 368.2 KB | Display | PDB format |
PDBx/mmJSON format | 4ng4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ng/4ng4 ftp://data.pdbj.org/pub/pdb/validation_reports/ng/4ng4 | HTTPS FTP |
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-Related structure data
Related structure data | 3tq8C 3tq9C 3tqaC 3tqbC 3tqcC 3tqdC 3tqeC 3tqfC 3tqgC 3tqhC 3tqiC 3tqjC 3tqlC 3tqmC 3tqnC 3tqoC 3tqpC 3tqqC 3tqrC 3tqsC 3tqtC 3tquC 3tqwC 3tqxC 3tqyC 3tqzC 3tr0C 3tr1C 3tr2C 3tr3C 3tr4C 3tr5C 3tr6C 3tr7C 3tr8C 3tr9C 3trbC 3trcC 3trdC 3treC 3trfC 3trgC 3trhC 3triC 3tthC 3ty2C 3uwcC 4f3qC 4f3rC 4nbqC 1zmrS 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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3 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
NCS ensembles :
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-Components
#1: Protein | Mass: 43776.285 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Details: This construct's boundaries were selected based on the GenBank gene sequence. However, the N terminus of the GenBank sequence was later discovered to be incorrect; based on homology to other ...Details: This construct's boundaries were selected based on the GenBank gene sequence. However, the N terminus of the GenBank sequence was later discovered to be incorrect; based on homology to other phosphoglycerate kinases, the correct N terminus is five residues later, i.e. MKALP... Residue numbering in this structure reflects the correct N terminus. Source: (gene. exp.) Coxiella burnetii (bacteria) / Strain: RSA 493 / Nine Mile phase I / Gene: CBU_1782, pgk / Plasmid: pMCSG7 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q83AU6, phosphoglycerate kinase #2: Chemical | #3: Chemical | Sequence details | THIS CONSTRUCT'S BOUNDARIES WERE SELECTED BASED ON THE GENBANK GENE SEQUENCE. HOWEVER, THE N ...THIS CONSTRUCT'S BOUNDARIES | |
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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: 2.38 Å3/Da / Density % sol: 48.37 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: Sodium chloride, HEPES, PEG 3000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 0.979 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jun 22, 2011 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 2.78→50 Å / Num. all: 30881 / Num. obs: 30663 / % possible obs: 99.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 3.2 % / Rsym value: 0.129 / Net I/σ(I): 11.3 |
Reflection shell | Resolution: 2.78→2.85 Å / Redundancy: 3.4 % / Mean I/σ(I) obs: 2.4 / Num. unique all: 1532 / Rsym value: 0.522 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: Homology models of cbu_1782 sequence built on the coordinates of 1ZMR, split into two domains Resolution: 2.78→43.21 Å / Cor.coef. Fo:Fc: 0.868 / Cor.coef. Fo:Fc free: 0.828 / SU B: 42.915 / SU ML: 0.401 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.491 / 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: 38.646 Å2
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Refinement step | Cycle: LAST / Resolution: 2.78→43.21 Å
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Refine LS restraints |
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Refine LS restraints NCS | Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 2.78→2.849 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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