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Yorodumi- PDB-2q9t: High-resolution structure of the DING protein from Pseudomonas fl... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2q9t | ||||||
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Title | High-resolution structure of the DING protein from Pseudomonas fluorescens | ||||||
Components | DING | ||||||
Keywords | UNKNOWN FUNCTION / DING protein / phosphate-binding / Venus flytrap fold / PstS protein | ||||||
Function / homology | Function and homology information phosphate ion transmembrane transport / phosphate ion binding / ATP-binding cassette (ABC) transporter complex / hydrolase activity Similarity search - Function | ||||||
Biological species | Pseudomonas fluorescens (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.43 Å | ||||||
Authors | Moniot, S. / Ahn, S. / Elias, M. / Kim, D. / Scott, K. / Chabriere, E. | ||||||
Citation | Journal: Febs Lett. / Year: 2007 Title: Structure-function relationships in a bacterial DING protein. Authors: Ahn, S. / Moniot, S. / Elias, M. / Chabriere, E. / Kim, D. / Scott, K. | ||||||
History |
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Remark 999 | sequence The sequence of this protein in not available in the UNP database at the time of ...sequence The sequence of this protein in not available in the UNP database at the time of processing. The C-terminal six His residues are cloning artifacts. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2q9t.cif.gz | 185.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2q9t.ent.gz | 144.2 KB | Display | PDB format |
PDBx/mmJSON format | 2q9t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2q9t_validation.pdf.gz | 475.5 KB | Display | wwPDB validaton report |
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Full document | 2q9t_full_validation.pdf.gz | 477.6 KB | Display | |
Data in XML | 2q9t_validation.xml.gz | 24 KB | Display | |
Data in CIF | 2q9t_validation.cif.gz | 39.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q9/2q9t ftp://data.pdbj.org/pub/pdb/validation_reports/q9/2q9t | HTTPS FTP |
-Related structure data
Related structure data | 2cap 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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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 38977.133 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: C-terminal hexahistidine tag / Source: (gene. exp.) Pseudomonas fluorescens (bacteria) / Strain: SBW 25 / Plasmid: pET22b(+) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q4KD17, UniProt: D0VWY2*PLUS |
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-Non-polymers , 6 types, 777 molecules
#2: Chemical | ChemComp-PO4 / | ||||||||
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#3: Chemical | #4: Chemical | #5: Chemical | ChemComp-EDO / #6: Chemical | ChemComp-GOL / | #7: Water | ChemComp-HOH / | |
-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: 42.1 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.5 Details: 24% PEG 8000, 100 mM acetate buffer pH 4.5, 200 mM Li2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.9535 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jul 9, 2006 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9535 Å / Relative weight: 1 |
Reflection | Resolution: 1.43→61.9 Å / Num. all: 60045 / Num. obs: 59063 / % possible obs: 98.1 % / Redundancy: 4 % / Biso Wilson estimate: 8.9 Å2 / Rsym value: 0.026 / Net I/σ(I): 38.9 |
Reflection shell | Resolution: 1.43→1.5 Å / Redundancy: 2.9 % / Mean I/σ(I) obs: 10.52 / Num. unique all: 7166 / Rsym value: 0.102 / % possible all: 89.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: Human Phosphate-binding protein (HPBP) PDB code 2cap 2cap Resolution: 1.43→61.9 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.956 / SU B: 1.818 / SU ML: 0.034 / Isotropic thermal model: anisotropic / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.078 / ESU R Free: 0.062 / 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: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 10.155 Å2
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Refinement step | Cycle: LAST / Resolution: 1.43→61.9 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.43→1.467 Å / Total num. of bins used: 20
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