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PDBsum entry 1ixj

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dna_rna ligands metals links
DNA PDB id
1ixj

 

 

 

 

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Contents
DNA/RNA
Ligands
NCO
Metals
_MG ×2
Waters ×19
PDB id:
1ixj
Name: DNA
Title: Crystal structure of d(gcgaaagct) containing parallel-stranded duplex with homo base pairs and anti-parallel duplex with watson-crick base pairs
Structure: 5'-d( Gp Cp Gp Ap Ap Ap Gp Cp T)-3'. Chain: a. Engineered: yes
Source: Synthetic: yes
Resolution:
2.50Å     R-factor:   0.215     R-free:   0.257
Authors: T.Sunami,J.Kondo,T.Kobuna,I.Hirao,K.Watanabe,K.Miura,A.Takenaka
Key ref: T.Sunami et al. (2002). Crystal structure of d(GCGAAAGCT) containing a parallel-stranded duplex with homo base pairs and an anti-parallel duplex with Watson-Crick base pairs. Nucleic Acids Res, 30, 5253-5260. PubMed id: 12466550 DOI: 10.1093/nar/gkf639
Date:
22-Jun-02     Release date:   11-Dec-02    
 Headers
 References

DNA/RNA chain
  G-C-G-A-A-A-G-C-T 9 bases

 

 
DOI no: 10.1093/nar/gkf639 Nucleic Acids Res 30:5253-5260 (2002)
PubMed id: 12466550  
 
 
Crystal structure of d(GCGAAAGCT) containing a parallel-stranded duplex with homo base pairs and an anti-parallel duplex with Watson-Crick base pairs.
T.Sunami, J.Kondo, T.Kobuna, I.Hirao, K.Watanabe, K.Miura, A.Takénaka.
 
  ABSTRACT  
 
A DNA fragment d(GCGAAAGCT), known to adopt a stable mini-hairpin structure in solution, has been crystallized in the space group I4(1)22 with the unit-cell dimensions a = b = 53.4 A and c = 54.0 A, and the crystal structure has been determined at 2.5 A resolution. The four nucleotide residues CGAA of the first half of the oligomer form a parallel duplex with another half through the homo base pairs, C2:C2+ (singly-protonated between the Watson- Crick sites), G3:G3 (between the minor groove sites), A4:A4 (between the major groove sites) and A5:A5 (between the Watson-Crick sites). The two strands remaining in the half of the parallel duplex are split away in different directions, and they pair in an anti-parallel B-form duplex with the second half extending from a neighboring parallel duplex, so that an infinite column is formed in a head-to-tail fashion along the c-axis. It seems that a hexa-ammine cobalt cation supports such a branched and bent conformation of the oligomer. One end of the parallel duplex is stacked on the corresponding end of the adjacent parallel duplex; between them, the guanine base of the first residue is stacked on the fourth ribose of another duplex.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
17630326 E.Ennifar, S.Bernacchi, P.Wolff, and P.Dumas (2007).
Influence of C-5 halogenation of uridines on hairpin versus duplex RNA folding.
  RNA, 13, 1445-1452.  
17505105 J.Kondo, T.Sunami, and A.Takénaka (2007).
The structure of a d(gcGAACgc) duplex containing two consecutive bulged A residues in both strands suggests a molecular switch.
  Acta Crystallogr D Biol Crystallogr, 63, 673-681.
PDB code: 2got
15133122 J.Kondo, W.Adachi, S.Umeda, T.Sunami, and A.Takénaka (2004).
Crystal structures of a DNA octaplex with I-motif of G-quartets and its splitting into two quadruplexes suggest a folding mechanism of eight tandem repeats.
  Nucleic Acids Res, 32, 2541-2549.
PDB codes: 1v3n 1v3o 1v3p
15324800 M.Egli (2004).
"Deoxyribo nanonucleic acid"; antiparallel, parallel, and unparalleled.
  Chem Biol, 11, 1027-1029.  
15556400 M.Egli (2004).
Nucleic acid crystallography: current progress.
  Curr Opin Chem Biol, 8, 580-591.  
15557000 P.Auffinger, F.A.Hays, E.Westhof, and P.S.Ho (2004).
Halogen bonds in biological molecules.
  Proc Natl Acad Sci U S A, 101, 16789-16794.  
15324813 P.J.Paukstelis, J.Nowakowski, J.J.Birktoft, and N.C.Seeman (2004).
Crystal structure of a continuous three-dimensional DNA lattice.
  Chem Biol, 11, 1119-1126.
PDB code: 1p1y
14993665 T.Sunami, J.Kondo, I.Hirao, K.Watanabe, K.Miura, and A.Takénaka (2004).
Structures of d(GCGAAGC) and d(GCGAAAGC) (tetragonal form): a switching of partners of the sheared G.A pairs to form a functional G.AxA.G crossing.
  Acta Crystallogr D Biol Crystallogr, 60, 422-431.
PDB codes: 1ub8 1ue4
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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