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- PDB-5jf7: Crystal structure of type 2 PDF from Streptococcus agalactiae in ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5jf7 | ||||||
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Title | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor SMP289 | ||||||
![]() | Peptide deformylase | ||||||
![]() | HYDROLASE / PDF / type 2 / NME / N-terminal methionine excision / Streptococcus agalactiae / inhibitor / SMP289 | ||||||
Function / homology | ![]() peptide deformylase / peptide deformylase activity / translation / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Fieulaine, S. / Giglione, C. / Meinnel, T. / Hamiche, K. | ||||||
Funding support | ![]()
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![]() | ![]() Title: A unique peptide deformylase platform to rationally design and challenge novel active compounds. Authors: Fieulaine, S. / Alves de Sousa, R. / Maigre, L. / Hamiche, K. / Alimi, M. / Bolla, J.M. / Taleb, A. / Denis, A. / Pages, J.M. / Artaud, I. / Meinnel, T. / Giglione, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 100.2 KB | Display | ![]() |
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PDB format | ![]() | 75 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 861.5 KB | Display | ![]() |
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Full document | ![]() | 863.2 KB | Display | |
Data in XML | ![]() | 13.2 KB | Display | |
Data in CIF | ![]() | 19.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5jexC ![]() 5jeyC ![]() 5jezC ![]() 5jf0C ![]() 5jf1C ![]() 5jf2C ![]() 5jf3C ![]() 5jf4C ![]() 5jf5C ![]() 5jf6C ![]() 5jf8C ![]() 2aieS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 22894.297 Da / Num. of mol.: 1 / Mutation: S2A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 245 molecules ![](data/chem/img/6JU.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/IMD.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/IMD.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-6JU / | ||
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#3: Chemical | ChemComp-ACT / | ||
#4: Chemical | ChemComp-IMD / | ||
#5: Chemical | ChemComp-ZN / #6: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.67 Å3/Da / Density % sol: 53.9 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 13% PEG-8000, 100mM Imidazole pH6.5, 400mM Zn acetate |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jan 28, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.873 Å / Relative weight: 1 |
Reflection | Resolution: 2.09→50 Å / Num. obs: 26386 / % possible obs: 94.8 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 3.2 % / Rsym value: 0.093 / Net I/σ(I): 12.04 |
Reflection shell | Resolution: 2.09→2.22 Å / Redundancy: 3.16 % / Rmerge(I) obs: 0.322 / Mean I/σ(I) obs: 3.99 / Rsym value: 0.381 / % possible all: 86.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2AIE Resolution: 2.1→44.66 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.93 / SU B: 7.174 / SU ML: 0.111 / Cross valid method: THROUGHOUT / ESU R: 0.172 / ESU R Free: 0.163 / 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: 22.14 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→44.66 Å
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Refine LS restraints |
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