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- PDB-8orv: Crystal structure of monkeypox virus poxin in complex with the ST... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8orv | ||||||
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Title | Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1203 | ||||||
![]() | MPXVgp165 | ||||||
![]() | VIRAL PROTEIN / mpox / monkeypox / virus / poxin | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Duchoslav, V. / Klima, M. / Boura, E. | ||||||
Funding support | 1items
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![]() | ![]() Title: Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function. Authors: Klima, M. / Dejmek, M. / Duchoslav, V. / Eisenreichova, A. / Sala, M. / Chalupsky, K. / Chalupska, D. / Novotna, B. / Birkus, G. / Nencka, R. / Boura, E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 62.1 KB | Display | ![]() |
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PDB format | ![]() | 42 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 908.1 KB | Display | ![]() |
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Full document | ![]() | 907.6 KB | Display | |
Data in XML | ![]() | 12 KB | Display | |
Data in CIF | ![]() | 17.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8orwC ![]() 8p44C ![]() 8p45C C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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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Components on special symmetry positions |
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Components
#1: Protein | Mass: 22509.893 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-VZ6 / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.75 Å3/Da / Density % sol: 55.27 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / Details: 40% (v/v) PEG 300; 0.1M phosphate-citrate, pH 4.2 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jan 11, 2023 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9184 Å / Relative weight: 1 |
Reflection | Resolution: 1.65→46.74 Å / Num. obs: 29391 / % possible obs: 99.47 % / Redundancy: 12.9 % / Biso Wilson estimate: 24.19 Å2 / CC1/2: 0.999 / CC star: 1 / Rmerge(I) obs: 0.1307 / Rpim(I) all: 0.03743 / Rrim(I) all: 0.1361 / Net I/σ(I): 14.98 |
Reflection shell | Resolution: 1.65→1.709 Å / Redundancy: 11.9 % / Rmerge(I) obs: 2.704 / Mean I/σ(I) obs: 0.92 / Num. unique obs: 2841 / CC1/2: 0.508 / CC star: 0.821 / Rpim(I) all: 0.8001 / Rrim(I) all: 2.824 / % possible all: 97.76 |
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Processing
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Refinement | Method to determine structure: ![]() Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.95 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.65→46.74 Å
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Refine LS restraints |
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LS refinement shell |
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