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- PDB-1th8: Crystal Structures of the ADP and ATP bound forms of the Bacillus... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1th8 | ||||||
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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 II | ||||||
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![]() | TRANSCRIPTION / SpoIIAB / SpoIIAA / anti-sigma / anti-anti-sigma / sporulation / serine kinase | ||||||
Function / homology | ![]() 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 | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Masuda, S. / Murakami, K.S. / Wang, S. / Olson, C.A. / Donigian, J. / Leon, F. / Darst, S.A. / Campbell, E.A. | ||||||
![]() | ![]() 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. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 64.6 KB | Display | ![]() |
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PDB format | ![]() | 46.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 822 KB | Display | ![]() |
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Full document | ![]() | 823.9 KB | Display | |
Data in XML | ![]() | 12.2 KB | Display | |
Data in CIF | ![]() | 16.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1thnC ![]() 1tidC ![]() 1tilC ![]() 1h4yS ![]() 1l0oS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Details | The second part of the biological assembly is generated from the submitted coordinates by applying the rotation/translation matrix below, given in O format: x' = -0.5x - 0.866y + 0z + 153.6532 y' = -0.866x + 0.5y + 0z + 88.708 z' = 0x + 0y - 1z -32.5022 |
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Components
#1: Protein | Mass: 16266.276 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: SPOIIAB / Plasmid: pET21A / Species (production host): Escherichia coli / Production host: ![]() ![]() |
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#2: Protein | Mass: 12815.920 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: SPOIIAA / Plasmid: pET21A / Species (production host): Escherichia coli / Production host: ![]() ![]() |
#3: Chemical | ChemComp-MG / |
#4: Chemical | ChemComp-ADP / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.81 Å3/Da / Density % sol: 67.72 % |
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Crystal grow | Temperature: 295.5 K / Method: vapor diffusion, hanging drop / pH: 7 Details: Sodium Malonate, HEPES, Jeffamine, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.5K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jun 30, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→30 Å / Num. all: 19662 / Num. obs: 19426 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 7.1 % / Rsym value: 0.069 / Net I/σ(I): 20.8 |
Reflection shell | Resolution: 2.4→2.48 Å / Mean I/σ(I) obs: 3.6 / Num. unique all: 1950 / Rsym value: 0.433 / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: pdb entry ID 1L0O, pdb entry ID 1H4Y Resolution: 2.4→30 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.4→30 Å
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Refine LS restraints |
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