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- PDB-3bbi: Minimally Junctioned Hairpin Ribozyme Incorporating A38(2AP) and ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3bbi | ||||||
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Title | Minimally Junctioned Hairpin Ribozyme Incorporating A38(2AP) and A-1 2'-O-Me Modifications near Active Site | ||||||
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![]() | RNA / hairpin ribozyme / 2-aminopurine / 2'O-methyl / phosphoryl transfer / linker | ||||||
Function / homology | COBALT HEXAMMINE(III) / RNA / RNA (> 10)![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | MacElrevey, C. / Krucinska, J. / Wedekind, J.E. | ||||||
![]() | ![]() Title: Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme. Authors: MacElrevey, C. / Salter, J.D. / Krucinska, J. / Wedekind, J.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 | ![]() | 48.5 KB | Display | ![]() |
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PDB format | ![]() | 34 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 436.5 KB | Display | ![]() |
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Full document | ![]() | 436.7 KB | Display | |
Data in XML | ![]() | 5.6 KB | Display | |
Data in CIF | ![]() | 7.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3b58C ![]() 3b5aC ![]() 3b5fC ![]() 3b5sC ![]() 3b91C ![]() 3bbkC ![]() 3bbmC ![]() 3cr1C ![]() 2oueS 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
-RNA chain , 3 types, 3 molecules ABC
#1: RNA chain | Mass: 4066.497 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: solid phase chemical synthesis at Dharmacon, Colorado |
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#2: RNA chain | Mass: 9762.989 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: solid phase chemical synthesis at Dharmacon, Colorado |
#3: RNA chain | Mass: 5991.568 Da / Num. of mol.: 1 / Mutation: A38(2AP), U39C / Source method: obtained synthetically Details: solid phase chemical synthesis at Dharmacon, Colorado |
-Non-polymers , 3 types, 59 molecules ![](data/chem/img/SO4.gif)
![](data/chem/img/NCO.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/NCO.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-SO4 / | ||
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#5: Chemical | #6: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.21 Å3/Da / Density % sol: 78 % | ||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.8 Details: PEG 2K MME, lithium sulfate, HEPES, spermidine, cobalt hexaammine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||||||||||||||||||
Components of the solutions |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Jun 26, 2006 / Details: Osmic confocal blue |
Radiation | Monochromator: osmic confocal blue / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.35→23.31 Å / Num. all: 14797 / Num. obs: 14740 / % possible obs: 99.6 % / Redundancy: 6.5 % / Biso Wilson estimate: 108 Å2 / Rsym value: 0.031 / Net I/σ(I): 23.4 |
Reflection shell | Resolution: 2.35→2.43 Å / Redundancy: 6.4 % / Mean I/σ(I) obs: 3.3 / Num. unique all: 1433 / Rsym value: 0.449 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2OUE Resolution: 2.35→23.08 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 785211.37 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): -3 / Stereochemistry target values: Engh & Huber Details: alternate conformations in chain A at resi 1 and resi 5
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 60 Å2 / ksol: 0.32 e/Å3 | ||||||||||||||||||||
Displacement parameters | Biso mean: 67.5 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.35→23.08 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.35→2.59 Å / Rfactor Rfree error: 0.033 / Total num. of bins used: 4
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Xplor file |
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