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Yorodumi- PDB-1thn: Crystal Structures of the ADP and ATP bound forms of the Bacillus... -
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-Basic information
Entry | Database: PDB / ID: 1thn | ||||||
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Title | Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: inhibitory complex with ADP, crystal form I | ||||||
Components |
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Keywords | TRANSCRIPTION / SpoIIAB / SpoIIAA / anti-sigma / anti-anti-sigma / sporulation / serine kinase | ||||||
Function / homology | Function and homology information asexual sporulation / negative regulation of sporulation resulting in formation of a cellular spore / anti-sigma factor antagonist activity / antisigma factor binding / sigma factor antagonist activity / sporulation resulting in formation of a cellular spore / non-specific serine/threonine protein kinase / phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / ATP binding Similarity search - Function | ||||||
Biological species | Geobacillus stearothermophilus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Masuda, S. / Murakami, K.S. / Wang, S. / Olson, C.A. / Donigan, J. / Leon, F. / Darst, S.A. / Campbell, E.A. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2004 Title: Crystal Structures of the ADP and ATP Bound Forms of the Bacillus Anti-sigma Factor SpoIIAB in Complex with the Anti-anti-sigma SpoIIAA. Authors: Masuda, S. / Murakami, K.S. / Wang, S. / Olson, C.A. / Donigian, J. / Leon, F. / Darst, S.A. / Campbell, E.A. | ||||||
History |
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Remark 999 | SEQUENCE THE DISCREPANCIES IN BOTH CHAINS ARE DUE TO STRAIN VARIATION. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1thn.cif.gz | 111.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1thn.ent.gz | 85.9 KB | Display | PDB format |
PDBx/mmJSON format | 1thn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/th/1thn ftp://data.pdbj.org/pub/pdb/validation_reports/th/1thn | HTTPS FTP |
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-Related structure data
Related structure data | 1th8C 1tidC 1tilC 1h4yS 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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1 |
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Unit cell |
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Details | the asymmetric unit contains one biological assembly of 2AB/2AA (a tetramer or 2 heterodimers) |
-Components
#1: Protein | Mass: 16266.276 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Geobacillus stearothermophilus (bacteria) Gene: SPOIIAB / Plasmid: pET21a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: O32727, EC: 2.7.1.37 #2: Protein | Mass: 12815.920 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Geobacillus stearothermophilus (bacteria) Gene: SPOIIAA / Plasmid: pET21a / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: O32726 #3: Chemical | #4: Chemical | ChemComp-DMF / | #5: 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: 2.75 Å3/Da / Density % sol: 55.3 % |
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Crystal grow | Temperature: 295.5 K / Method: vapor diffusion, hanging drop / pH: 11 Details: 0.1M CAPS, 6% DMF, 2.0M lithium sulfate, pH 11, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1.1 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Apr 5, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.1 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→30 Å / Num. all: 25532 / Num. obs: 25047 / % possible obs: 98.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.9 % / Rsym value: 0.031 / Net I/σ(I): 39.56 |
Reflection shell | Resolution: 2.5→2.55 Å / Mean I/σ(I) obs: 11.27 / Num. unique all: 2497 / Rsym value: 0.11 / % possible all: 91.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: pdb entry ID1L0O, pdb entry ID 1H4Y Resolution: 2.5→30 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.5→30 Å
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Refine LS restraints |
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