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PDBsum entry 1sdr
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DOI no:
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J Mol Biol
249:595-603
(1995)
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PubMed id:
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Crystal structure of an RNA dodecamer containing the Escherichia coli Shine-Dalgarno sequence.
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H.Schindelin,
M.Zhang,
R.Bald,
J.P.Fürste,
V.A.Erdmann,
U.Heinemann.
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ABSTRACT
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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.
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Selected figure(s)
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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.
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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).
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The above figures are
reprinted
by permission from Elsevier:
J Mol Biol
(1995,
249,
595-603)
copyright 1995.
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Figures were
selected
by an automated process.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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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.
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J Comput Chem,
32,
1929-1943.
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H.Ode,
Y.Matsuo,
S.Neya,
and
T.Hoshino
(2008).
Force field parameters for rotation around chi torsion axis in nucleic acids.
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J Comput Chem,
29,
2531-2542.
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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.
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Biophys J,
93,
2110-2117.
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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.
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Structure,
15,
289-297.
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PDB code:
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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.
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Acta Crystallogr Sect F Struct Biol Cryst Commun,
62,
665-668.
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P.Z.Qin,
J.Iseri,
and
A.Oki
(2006).
A model system for investigating lineshape/structure correlations in RNA site-directed spin labeling.
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Biochem Biophys Res Commun,
343,
117-124.
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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.
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Acta Crystallogr Sect F Struct Biol Cryst Commun,
61,
1049-1053.
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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.
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Proc Natl Acad Sci U S A,
102,
10505-10510.
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Y.Pan,
and
A.D.MacKerell
(2003).
Altered structural fluctuations in duplex RNA versus DNA: a conformational switch involving base pair opening.
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Nucleic Acids Res,
31,
7131-7140.
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M.G.Gagnon,
and
S.V.Steinberg
(2002).
GU receptors of double helices mediate tRNA movement in the ribosome.
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RNA,
8,
873-877.
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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.
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Nucleic Acids Res,
29,
4144-4153.
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PDB code:
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Y.Z.Chen,
V.Mohan,
and
R.H.Griffey
(2000).
Base opening in RNA and DNA duplexes: implication for RNA stability.
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Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics,
61,
5640-5645.
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P.Auffinger,
S.Louise-May,
and
E.Westhof
(1999).
Molecular dynamics simulations of solvated yeast tRNA(Asp).
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Biophys J,
76,
50-64.
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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.
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Nucleic Acids Res,
25,
4599-4607.
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PDB code:
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J.A.Doudna,
and
J.H.Cate
(1997).
RNA structure: crystal clear?
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Curr Opin Struct Biol,
7,
310-316.
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Q.Chen,
R.H.Shafer,
and
I.D.Kuntz
(1997).
Structure-based discovery of ligands targeted to the RNA double helix.
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Biochemistry,
36,
11402-11407.
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S.R.Holbrook,
and
S.H.Kim
(1997).
RNA crystallography.
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Biopolymers,
44,
3.
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M.Egli,
S.Portmann,
and
N.Usman
(1996).
RNA hydration: a detailed look.
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Biochemistry,
35,
8489-8494.
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PDB code:
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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.
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Structure,
4,
917-930.
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PDB code:
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A.Liljas,
and
M.Garber
(1995).
Ribosomal proteins and elongation factors.
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Curr Opin Struct Biol,
5,
721-727.
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S.E.Lietzke,
C.L.Barnes,
and
C.E.Kundrot
(1995).
Crystallization and structure determination of RNA.
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Curr Opin Struct Biol,
5,
645-649.
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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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