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Yorodumi- PDB-7eog: Crystal structure of the Pepper aptamer in complex with HBC, irid... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7eog | ||||||
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Title | Crystal structure of the Pepper aptamer in complex with HBC, iridium hexammine soak | ||||||
Components | Pepper (49-MER) | ||||||
Keywords | RNA / Fluorescent RNA / Aptamer / HBC | ||||||
Function / homology | GUANOSINE-5'-TRIPHOSPHATE / IRIDIUM HEXAMMINE ION / Chem-J8F / RNA / RNA (> 10) Function and homology information | ||||||
Biological species | synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.5 Å | ||||||
Authors | Huang, K.Y. / Ren, A.M. | ||||||
Funding support | China, 1items
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Citation | Journal: Nat.Chem.Biol. / Year: 2021 Title: Structure-based investigation of fluorogenic Pepper aptamer. Authors: Huang, K. / Chen, X. / Li, C. / Song, Q. / Li, H. / Zhu, L. / Yang, Y. / Ren, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7eog.cif.gz | 47.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7eog.ent.gz | 31.4 KB | Display | PDB format |
PDBx/mmJSON format | 7eog.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7eog_validation.pdf.gz | 2.5 MB | Display | wwPDB validaton report |
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Full document | 7eog_full_validation.pdf.gz | 2.5 MB | Display | |
Data in XML | 7eog_validation.xml.gz | 7 KB | Display | |
Data in CIF | 7eog_validation.cif.gz | 10.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/eo/7eog ftp://data.pdbj.org/pub/pdb/validation_reports/eo/7eog | HTTPS FTP |
-Related structure data
Related structure data | 7eohC 7eoiC 7eojC 7eokC 7eolC 7eomC 7eonC 7eooC 7eopC C: citing same article (ref.) |
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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
-RNA chain , 1 types, 1 molecules A
#1: RNA chain | Mass: 15428.166 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) Production host: in vitro transcription vector pT7-TP(deltai) (others) |
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-Non-polymers , 5 types, 203 molecules
#2: Chemical | ChemComp-GTP / | ||||
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#3: Chemical | ChemComp-J8F / | ||||
#4: Chemical | ChemComp-MG / #5: Chemical | #6: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.41 Å3/Da / Density % sol: 49.01 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop Details: 0.1 M ammonium chloride, 0.005 M magnesium chloride, 0.025 M HEPES, pH 7.0, 1.25 M 1,6-hexanediol, 40% MPD |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 1.102 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jan 4, 2019 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.102 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.5→50 Å / Num. obs: 41597 / % possible obs: 91.3 % / Redundancy: 6.6 % / Rmerge(I) obs: 0.102 / Rpim(I) all: 0.041 / Rrim(I) all: 0.11 / Χ2: 0.993 / Net I/σ(I): 4.3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 1.5→46.073 Å / SU ML: 0.18 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 21.46 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 185.17 Å2 / Biso mean: 30.4445 Å2 / Biso min: 11.94 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.5→46.073 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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