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PDBsum entry 1sdr

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RNA PDB id
1sdr

 

 

 

 

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Contents
DNA/RNA
Waters ×39
PDB id:
1sdr
Name: RNA
Title: Crystal structure of an RNA dodecamer containing the escherichia coli shine-dalgarno sequence
Structure: RNA (5'-r( Up Ap Ap Gp Gp Ap Gp Gp Up Gp Ap U)-3'). Chain: a, c. Engineered: yes. RNA (5'-r( Ap Up Cp Ap Cp Cp Up Cp Cp Up Up A)-3'). Chain: b, d. Engineered: yes
Source: Synthetic: yes. Synthetic: yes
Biol. unit: Dimer (from PQS)
Resolution:
2.60Å     R-factor:   0.195    
Authors: H.Schindelin,M.Zhang,R.Bald,J.-P.Fuerste,V.A.Erdmann,U.Heinemann
Key ref:
H.Schindelin et al. (1995). Crystal structure of an RNA dodecamer containing the Escherichia coli Shine-Dalgarno sequence. J Mol Biol, 249, 595-603. PubMed id: 7540215 DOI: 10.1006/jmbi.1995.0321
Date:
11-Dec-94     Release date:   27-Feb-95    
 Headers
 References

DNA/RNA chains
  U-A-A-G-G-A-G-G-U-G-A-U 12 bases
  A-U-C-A-C-C-U-C-C-U-U-A 12 bases
  U-A-A-G-G-A-G-G-U-G-A-U 12 bases
  A-U-C-A-C-C-U-C-C-U-U-A 12 bases

 

 
DOI no: 10.1006/jmbi.1995.0321 J Mol Biol 249:595-603 (1995)
PubMed id: 7540215  
 
 
Crystal structure of an RNA dodecamer containing the Escherichia coli Shine-Dalgarno sequence.
H.Schindelin, M.Zhang, R.Bald, J.P.Fürste, V.A.Erdmann, U.Heinemann.
 
  ABSTRACT  
 
The synthetic dodecameric RNA fragment rUAAGGAGGUGAU resembles a region upstream of the initiation site in prokaryotic mRNAs whereas the pyrimidine-rich complementary strand is identical to the last 12 nucleotides of Escherichia coli 16 S rRNA. The complex thus serves as a model for the Shine-Dalgarno interaction which is required for proper initiation of translation. The crystal structure of rUAAGGAGGUGUA.rAUCACCUCCUUA has been determined at 2.6 A resolution and refined against 2957 1 sigma(F) structure amplitudes to an R-value of 0.195. The unit cell of the triclinic crystals contains two double-stranded RNA molecules. The conformation of the two duplexes is similar, with a root-mean-square deviation of 0.683 A between equivalent atoms, and resembles calf thymus A-DNA as determined by X-ray fiber diffraction methods. Both molecules from continuous helices that penetrate the entire crystal, but the dinucleotide step in between dodecameric duplexes has an unusual geometry with a negative twist angle. The long helices cross over each other in a characteristic manner by inserting the backbone of one molecule into the minor groove of another. These contacts are stabilized by several direct intermolecular hydrogen bonds most of which are mediated by 2'-hydroxyl groups of the ribose sugars suggesting a general mode for the interaction between RNA molecules which is different from DNA-DNA interactions.
 
  Selected figure(s)  
 
Figure 1.
Figure 1. Portion of a 2Fo - Fc electron density map around a terminal base-pair calculated with the final atomic model and contoured at 1s.
Figure 2.
Figure 2. Stereo view of a least-squares superposition of the two independent molecules of the Shine-Dalgarno dodecamer. Both molecules are shown in an all-bond wire representation. The view is into the minor groove of the helices. This drawing, as well as Figures 3 and 4 were prepared using Molscript (Kraulis, 1991).
 
  The above figures are reprinted by permission from Elsevier: J Mol Biol (1995, 249, 595-603) copyright 1995.  
  Figures were selected by an automated process.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
  21469161 E.J.Denning, U.D.Priyakumar, L.Nilsson, and A.D.Mackerell (2011).
Impact of 2'-hydroxyl sampling on the conformational properties of RNA: update of the CHARMM all-atom additive force field for RNA.
  J Comput Chem, 32, 1929-1943.  
18470965 H.Ode, Y.Matsuo, S.Neya, and T.Hoshino (2008).
Force field parameters for rotation around chi torsion axis in nucleic acids.
  J Comput Chem, 29, 2531-2542.  
17526583 Q.Cai, A.K.Kusnetzow, K.Hideg, E.A.Price, I.S.Haworth, and P.Z.Qin (2007).
Nanometer distance measurements in RNA using site-directed spin labeling.
  Biophys J, 93, 2110-2117.  
17355865 T.Kaminishi, D.N.Wilson, C.Takemoto, J.M.Harms, M.Kawazoe, F.Schluenzen, K.Hanawa-Suetsugu, M.Shirouzu, P.Fucini, and S.Yokoyama (2007).
A snapshot of the 30S ribosomal subunit capturing mRNA via the Shine-Dalgarno interaction.
  Structure, 15, 289-297.
PDB code: 2e5l
  16820689 C.Förster, A.B.Brauer, S.Brode, K.S.Schmidt, M.Perbandt, A.Meyer, W.Rypniewski, C.Betzel, J.Kurreck, J.P.Fürste, and V.A.Erdmann (2006).
Comparative crystallization and preliminary X-ray diffraction studies of locked nucleic acid and RNA stems of a tenascin C-binding aptamer.
  Acta Crystallogr Sect F Struct Biol Cryst Commun, 62, 665-668.  
16530169 P.Z.Qin, J.Iseri, and A.Oki (2006).
A model system for investigating lineshape/structure correlations in RNA site-directed spin labeling.
  Biochem Biophys Res Commun, 343, 117-124.  
  16511232 C.MacElrevey, and J.E.Wedekind (2005).
Crystallization and X-ray diffraction analysis of the Trp/amber editing site of hepatitis delta virus (+)RNA: a case of rational design.
  Acta Crystallogr Sect F Struct Biol Cryst Commun, 61, 1049-1053.  
16024731 J.H.Hodak, C.D.Downey, J.L.Fiore, A.Pardi, and D.J.Nesbitt (2005).
Docking kinetics and equilibrium of a GAAA tetraloop-receptor motif probed by single-molecule FRET.
  Proc Natl Acad Sci U S A, 102, 10505-10510.  
14654688 Y.Pan, and A.D.MacKerell (2003).
Altered structural fluctuations in duplex RNA versus DNA: a conformational switch involving base pair opening.
  Nucleic Acids Res, 31, 7131-7140.  
12166642 M.G.Gagnon, and S.V.Steinberg (2002).
GU receptors of double helices mediate tRNA movement in the ribosome.
  RNA, 8, 873-877.  
11600703 D.A.Adamiak, W.R.Rypniewski, J.Milecki, and R.W.Adamiak (2001).
The 1.19 A X-ray structure of 2'-O-Me(CGCGCG)(2) duplex shows dehydrated RNA with 2-methyl-2,4-pentanediol in the minor groove.
  Nucleic Acids Res, 29, 4144-4153.
PDB code: 1i7j
11031620 Y.Z.Chen, V.Mohan, and R.H.Griffey (2000).
Base opening in RNA and DNA duplexes: implication for RNA stability.
  Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics, 61, 5640-5645.  
9876122 P.Auffinger, S.Louise-May, and E.Westhof (1999).
Molecular dynamics simulations of solvated yeast tRNA(Asp).
  Biophys J, 76, 50-64.  
9358171 D.A.Adamiak, J.Milecki, M.Popenda, R.W.Adamiak, Z.Dauter, and W.R.Rypniewski (1997).
Crystal structure of 2'-O-Me(CGCGCG)2, an RNA duplex at 1.30 A resolution. Hydration pattern of 2'-O-methylated RNA.
  Nucleic Acids Res, 25, 4599-4607.
PDB code: 310d
9204271 J.A.Doudna, and J.H.Cate (1997).
RNA structure: crystal clear?
  Curr Opin Struct Biol, 7, 310-316.  
9298959 Q.Chen, R.H.Shafer, and I.D.Kuntz (1997).
Structure-based discovery of ligands targeted to the RNA double helix.
  Biochemistry, 36, 11402-11407.  
9097731 S.R.Holbrook, and S.H.Kim (1997).
RNA crystallography.
  Biopolymers, 44, 3.  
8679609 M.Egli, S.Portmann, and N.Usman (1996).
RNA hydration: a detailed look.
  Biochemistry, 35, 8489-8494.
PDB code: 259d
8805576 S.E.Lietzke, C.L.Barnes, J.A.Berglund, and C.E.Kundrot (1996).
The structure of an RNA dodecamer shows how tandem U-U base pairs increase the range of stable RNA structures and the diversity of recognition sites.
  Structure, 4, 917-930.
PDB code: 280d
8749358 A.Liljas, and M.Garber (1995).
Ribosomal proteins and elongation factors.
  Curr Opin Struct Biol, 5, 721-727.  
8574700 S.E.Lietzke, C.L.Barnes, and C.E.Kundrot (1995).
Crystallization and structure determination of RNA.
  Curr Opin Struct Biol, 5, 645-649.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.

 

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