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- PDB-6e6w: The N-terminal domain of PA endonuclease from the influenza H1N1 ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6e6w | ||||||
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Title | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | ||||||
![]() | Polymerase acidic protein | ||||||
![]() | HYDROLASE/HYDROLASE INHIBITOR / PA endonuclease / inhibitor / influenza / H1N1 / HYDROLASE-HYDROLASE INHIBITOR complex | ||||||
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 | ![]() ![]() ![]() | ||||||
![]() | Dick, B.L. / Morrison, C.N. / Credille, C.V. / Cohen, S.M. | ||||||
Funding support | ![]()
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![]() | ![]() Title: SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. Authors: Credille, C.V. / Morrison, C.N. / Stokes, R.W. / Dick, B.L. / Feng, Y. / Sun, J. / Chen, Y. / Cohen, S.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 54.7 KB | Display | ![]() |
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PDB format | ![]() | 36.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 724 KB | Display | ![]() |
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Full document | ![]() | 725.1 KB | Display | |
Data in XML | ![]() | 9.1 KB | Display | |
Data in CIF | ![]() | 11.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6e3mC ![]() 6e3nC ![]() 6e3oC ![]() 6e3pC ![]() 6e4cC ![]() 6e6vC ![]() 6e6xC ![]() 4awmS 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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Unit cell |
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Components
#1: Protein | Mass: 22468.666 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: C3W5S0, Hydrolases; Acting on ester bonds | ||||
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#2: Chemical | #3: Chemical | ChemComp-HWJ / | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.15 % |
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Crystal grow | Temperature: 306 K / Method: vapor diffusion, hanging drop / pH: 7.8 Details: 30% PEG4000, 100 mM Tris, pH 8.35, 200-220 mM sodium acetate |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Dec 15, 2017 |
Radiation | Monochromator: double-crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.35→44.05 Å / Num. obs: 8854 / % possible obs: 100 % / Redundancy: 31.4 % / Rmerge(I) obs: 0.089 / Rpim(I) all: 0.022 / Rrim(I) all: 0.092 / Net I/σ(I): 25.3 |
Reflection shell | Resolution: 2.35→2.43 Å / Redundancy: 31.1 % / Rmerge(I) obs: 0.426 / Mean I/σ(I) obs: 7.3 / Num. unique obs: 831 / Rpim(I) all: 0.107 / Rrim(I) all: 0.439 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 4AWM Resolution: 2.35→44.05 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.917 / SU B: 8.542 / SU ML: 0.2 / Cross valid method: THROUGHOUT / ESU R: 0.406 / ESU R Free: 0.277 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 49.986 Å2
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Refinement step | Cycle: 1 / Resolution: 2.35→44.05 Å
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Refine LS restraints |
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