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Yorodumi- PDB-4uro: Crystal Structure of Staph GyraseB 24kDa in complex with Novobiocin -
+Open data
-Basic information
Entry | Database: PDB / ID: 4uro | ||||||
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Title | Crystal Structure of Staph GyraseB 24kDa in complex with Novobiocin | ||||||
Components | DNA GYRASE SUBUNIT B | ||||||
Keywords | ISOMERASE / ANTIBIOTICS / TOPOISOMERASE IV / NATURAL PRODUCT | ||||||
Function / homology | Function and homology information DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity / DNA topoisomerase (ATP-hydrolysing) / DNA topological change / DNA-templated DNA replication / chromosome / response to antibiotic / DNA binding / ATP binding / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | STAPHYLOCOCCUS AUREUS (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.59 Å | ||||||
Authors | Lu, J. / Patel, S. / Sharma, N. / Soisson, S. / Kishii, R. / Takei, M. / Fukuda, Y. / Lumb, K.J. / Singh, S.B. | ||||||
Citation | Journal: Acs Chem.Biol. / Year: 2014 Title: Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode. Authors: Lu, J. / Patel, S. / Sharma, N. / Soisson, S.M. / Kishii, R. / Takei, M. / Fukuda, Y. / Lumb, K.J. / Singh, S.B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4uro.cif.gz | 158.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4uro.ent.gz | 126.2 KB | Display | PDB format |
PDBx/mmJSON format | 4uro.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ur/4uro ftp://data.pdbj.org/pub/pdb/validation_reports/ur/4uro | HTTPS FTP |
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-Related structure data
Related structure data | 4urlC 4urmC 4urnC 1aj6S C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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3 |
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4 |
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Unit cell |
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-Components
#1: Protein | Mass: 25688.619 Da / Num. of mol.: 4 / Fragment: N-TERMINAL DOMAIN, RESIDUES 1-231 Source method: isolated from a genetically manipulated source Source: (gene. exp.) STAPHYLOCOCCUS AUREUS (bacteria) / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) / References: UniProt: P0A0K8, EC: 5.99.1.3 #2: Chemical | ChemComp-NOV / #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: 2.12 Å3/Da / Density % sol: 42.09 % / Description: NONE |
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Crystal grow | pH: 8.5 Details: 0.2M MAGNESIUM CHLORIDE, 0.1M TRIS PH8.5, 30% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Type: ALS / Wavelength: 1 |
Detector | Date: Oct 17, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.59→74.24 Å / Num. obs: 26992 / % possible obs: 99.6 % / Observed criterion σ(I): 3.3 / Redundancy: 3.7 % / Biso Wilson estimate: 53.44 Å2 / Rmerge(I) obs: 0.09 / Net I/σ(I): 9.9 |
Reflection shell | Resolution: 2.59→2.89 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.35 / Mean I/σ(I) obs: 3.3 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1AJ6 Resolution: 2.59→74.24 Å / Cor.coef. Fo:Fc: 0.9065 / Cor.coef. Fo:Fc free: 0.8635 / SU R Cruickshank DPI: 0.71 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.616 / SU Rfree Blow DPI: 0.29 / SU Rfree Cruickshank DPI: 0.301 Details: IDEAL-DIST CONTACT TERM CONTACT SETUP. ALL ATOMS HAVE CCP4 ATOM TYPE FROM LIBRARY
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Displacement parameters | Biso mean: 43.35 Å2
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Refine analyze | Luzzati coordinate error obs: 0.282 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.59→74.24 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.59→2.69 Å / Total num. of bins used: 14
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