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- PDB-2rpt: Structure of the CC mismatch from the thymidylate synthase bindin... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2rpt | ||||||||||||||||||
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Title | Structure of the CC mismatch from the thymidylate synthase binding site 1 hairpin and analysis of its interaction with paromomycin | ||||||||||||||||||
![]() | RNA (5'-R(*![]() RNA / NMR spectroscopy / RNA structure / paromomycin / aminoglycoside-RNA interaction | Function / homology | RNA / RNA (> 10) | ![]() Method | SOLUTION NMR / SIMULATED ANNEALING, MOLECULAR DYNAMICS | ![]() Tavares, T.J. / Johnson, P.E. | ![]() ![]() Title: Structure of the cytosine-cytosine mismatch in the thymidylate synthase mRNA binding site and analysis of its interaction with the aminoglycoside paromomycin Authors: Tavares, T.J. / Beribisky, A.V. / Johnson, P.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 | ![]() | 126.7 KB | Display | ![]() |
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PDB format | ![]() | 105.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 327.2 KB | Display | ![]() |
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Full document | ![]() | 370 KB | Display | |
Data in XML | ![]() | 4.3 KB | Display | |
Data in CIF | ![]() | 7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: RNA chain | Mass: 6450.943 Da / Num. of mol.: 1 / Fragment: thymidylate synthase binding site 1 mRNA hairpin / Source method: obtained synthetically / Details: IN-VITRO TRANSCRIPTION USING T7 RNA POLYMERASE |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
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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, MOLECULAR DYNAMICS / Software ordinal: 1 | ||||||||||||||||||||||||
NMR constraints | NA other-angle constraints total count: 55 / NA sugar pucker constraints total count: 20 / NOE constraints total: 260 / NOE intraresidue total count: 108 / NOE medium range total count: 43 / NOE sequential total count: 109 | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 10 / Representative conformer: 1 |