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- PDB-4awg: Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4awg | ||||||
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Title | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 3 | ||||||
![]() | POLYMERASE PA | ||||||
![]() | HYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR COMPLEX / HYDROLASE / MANGANESE-DEPENDENT | ||||||
Function / homology | ![]() cap snatching / symbiont-mediated suppression of host mRNA transcription via inhibition of RNA polymerase II activity / endonuclease activity / host cell cytoplasm / Hydrolases; Acting on ester bonds / viral RNA genome replication / DNA-templated transcription / host cell nucleus / RNA binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kowalinski, E. / Zubieta, C. / Wolkerstorfer, A. / Szolar, O.H. / Ruigrok, R.W. / Cusack, S. | ||||||
![]() | ![]() Title: Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Authors: Kowalinski, E. / Zubieta, C. / Wolkerstorfer, A. / Szolar, O.H. / Ruigrok, R.W. / Cusack, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 327.8 KB | Display | ![]() |
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PDB format | ![]() | 268.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 31.8 KB | Display | |
Data in CIF | ![]() | 41.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4avgC ![]() 4avlC ![]() 4avqC ![]() 4awfC ![]() 4awhC ![]() 4awkC ![]() 4awmC ![]() 2w69S 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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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: 23939.291 Da / Num. of mol.: 4 / Fragment: ENDONUCLEASE, RESIDUES 1-198 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-CI3 / ( #4: Chemical | ChemComp-MN / #5: Water | ChemComp-HOH / | Nonpolymer details | SULFATE ION (SO4): FROM CRYSTALLISATION SOLUTION 4-[3-[(4-CHLOROPHENYL)METHYL]-1-(PHENYLMETHYL)-3- ...SULFATE ION (SO4): FROM CRYSTALLIS | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.27 Å3/Da / Density % sol: 45.8 % / Description: NONE |
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Crystal grow | pH: 5.5 / Details: 2.0 M AMMONIUM SULPHATE, 0.1 M BISTRIS PH5.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Nov 14, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8726 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→50 Å / Num. obs: 27491 / % possible obs: 99.8 % / Observed criterion σ(I): 0 / Redundancy: 4.58 % / Rmerge(I) obs: 0.16 / Net I/σ(I): 9.5 |
Reflection shell | Resolution: 2.6→2.7 Å / Redundancy: 4.62 % / Rmerge(I) obs: 0.81 / Mean I/σ(I) obs: 2.14 / % possible all: 99.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2W69 Resolution: 2.6→89.1 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.899 / SU B: 24.368 / SU ML: 0.248 / Cross valid method: THROUGHOUT / ESU R: 9.861 / ESU R Free: 0.346 / 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: 30.973 Å2
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Refinement step | Cycle: LAST / Resolution: 2.6→89.1 Å
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Refine LS restraints |
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