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Yorodumi- PDB-9cpi: Structures of small molecules bound to RNA repeat expansions that... -
+Open data
-Basic information
Entry | Database: PDB / ID: 9cpi | ||||||||||||||||||||||||||||||||||
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Title | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | ||||||||||||||||||||||||||||||||||
Components | RNA (5'-R(*Keywords | RNA / CUG repeats / myotonic dystrophy type 1 / DM1 / 5'CUG/3'GUC | Function / homology | : / RNA / RNA (> 10) | Function and homology information Biological species | Homo sapiens (human) | Method | SOLUTION NMR / simulated annealing | Authors | Chen, J.L. / Taghavi, A. / Disney, M.D. / Fountain, M.A. / Childs-Disney, J.L. | Funding support | United States, 3items |
Citation | Journal: Bioorg.Med.Chem.Lett. / Year: 2024 | Title: Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1. Authors: Chen, J.L. / Taghavi, A. / Frank, A.J. / Fountain, M.A. / Choudhary, S. / Roy, S. / Childs-Disney, J.L. / Disney, M.D. History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 9cpi.cif.gz | 356.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb9cpi.ent.gz | Display | PDB format | |
PDBx/mmJSON format | 9cpi.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 9cpi_validation.pdf.gz | 485.6 KB | Display | wwPDB validaton report |
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Full document | 9cpi_full_validation.pdf.gz | 717.7 KB | Display | |
Data in XML | 9cpi_validation.xml.gz | 20.6 KB | Display | |
Data in CIF | 9cpi_validation.cif.gz | 30.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cp/9cpi ftp://data.pdbj.org/pub/pdb/validation_reports/cp/9cpi | HTTPS FTP |
-Related structure data
Related structure data | 9cpdC 9cpgC 9cpjC C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: RNA chain | Mass: 4133.501 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) #2: Chemical | ChemComp-A1AZL / | Mass: 376.455 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C21H24N6O / Feature type: SUBJECT OF INVESTIGATION Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details |
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Sample |
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Sample conditions |
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-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 2 | ||||||||||||||||||||
NMR representative | Selection criteria: fewest violations | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 100 / Conformers submitted total number: 20 |