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PDBsum entry 117d

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DNA PDB id
117d

 

 

 

 

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Contents
DNA/RNA
Waters ×33
PDB id:
117d
Name: DNA
Title: Crystal and molecular structure of the alternating dodecamer d(gcgtacgtacgc) in the a-DNA form: comparison with the isomorphous non-alternating dodecamer d(ccgtacgtacgg)
Structure: DNA (5'-d( Gp Cp Gp Tp Ap Cp Gp Tp Ap Cp Gp C)-3'). Chain: a. Engineered: yes
Source: Synthetic: yes
Biol. unit: Dimer (from PQS)
Resolution:
2.55Å     R-factor:   0.142    
Authors: C.A.Bingman,S.Jain,G.Zon,M.Sundaralingam
Key ref: C.Bingman et al. (1992). Crystal and molecular structure of the alternating dodecamer d(GCGTACGTACGC) in the A-DNA form: comparison with the isomorphous non-alternating dodecamer d(CCGTACGTACGG). Nucleic Acids Res, 20, 6637-6647. PubMed id: 1480485
Date:
10-Feb-93     Release date:   15-Apr-93    
 Headers
 References

DNA/RNA chain
  G-C-G-T-A-C-G-T-A-C-G-C 12 bases

 

 
Nucleic Acids Res 20:6637-6647 (1992)
PubMed id: 1480485  
 
 
Crystal and molecular structure of the alternating dodecamer d(GCGTACGTACGC) in the A-DNA form: comparison with the isomorphous non-alternating dodecamer d(CCGTACGTACGG).
C.Bingman, S.Jain, G.Zon, M.Sundaralingam.
 
  ABSTRACT  
 
The crystal structure of the alternating dodecamer d(GCGTACGTACGC) (5'-GC) has been determined to a resolution of 2.55A using oscillation film data. The crystals belong to space group P6(1) 22, a = b = 46.2A, c = 71.5A with one strand in the asymmetric unit, and are isomorphous with a previously described non-alternating dodecamer, d(CCGTACGTACGG) (5'-CC). Refinement by X-PLOR/NUCLSQ gave a final R factor of 14.2% for 1089 observations. The molecule adopts the A-DNA form. The interchange of the terminal base pairs in the two dodecamers results in differences in the intermolecular contacts and may account for the differences in the bending. This dodecamer shows an axial deflection of 30 degrees, in the direction of the major groove compared to 20 degrees in 5'-CC and may be a consequence of additional contacts generated in 5'-GC by the interchange of end base pairs. The high helical axis deflection appreciably influences the local helical parameters. The molecule exhibits relatively high inclination angles, and has a narrow major groove. The helical parameters when described relative to the dyad-related hexamer halves of the molecule give more reasonable values. The crystal packing, local helical parameters, torsion angles, and hydration are described and also compared with the non-alternating 5'-CC dodecamer.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
15770662 T.A.Soares, P.H.Hünenberger, M.A.Kastenholz, V.Kräutler, T.Lenz, R.D.Lins, C.Oostenbrink, and W.F.van Gunsteren (2005).
An improved nucleic acid parameter set for the GROMOS force field.
  J Comput Chem, 26, 725-737.  
15107493 D.Jose, and D.Porschke (2004).
Dynamics of the B-A transition of DNA double helices.
  Nucleic Acids Res, 32, 2251-2258.  
9622486 X.Shui, L.McFail-Isom, G.G.Hu, and L.D.Williams (1998).
The B-DNA dodecamer at high resolution reveals a spine of water on sodium.
  Biochemistry, 37, 8341-8355.
PDB code: 355d
9284322 B.Pan, C.Ban, M.C.Wahl, and M.Sundaralingam (1997).
Crystal structure of d(GCGCGCG) with 5'-overhang G residues.
  Biophys J, 73, 1553-1561.
PDB code: 331d
9080547 B.Hartmann, and R.Lavery (1996).
DNA structural forms.
  Q Rev Biophys, 29, 309-368.  
8873995 C.Ban, B.Ramakrishnan, and M.Sundaralingam (1996).
Crystal structure of the self-complementary 5'-purine start decamer d(GCGCGCGCGC) in the Z-DNA conformation. I.
  Biophys J, 71, 1215-1221.
PDB code: 279d
8548452 G.Guzikevich-Guerstein, and Z.Shakked (1996).
A novel form of the DNA double helix imposed on the TATA-box by the TATA-binding protein.
  Nat Struct Biol, 3, 32-37.  
7647248 M.A.Young, G.Ravishanker, D.L.Beveridge, and H.M.Berman (1995).
Analysis of local helix bending in crystal structures of DNA oligonucleotides and DNA-protein complexes.
  Biophys J, 68, 2454-2468.  
7610037 M.Suzuki, and N.Yagi (1995).
Stereochemical basis of DNA bending by transcription factors.
  Nucleic Acids Res, 23, 2083-2091.  
7656035 X.Chen, B.Ramakrishnan, S.T.Rao, and M.Sundaralingam (1994).
Binding of two distamycin A molecules in the minor groove of an alternating B-DNA duplex.
  Nat Struct Biol, 1, 169-175.
PDB code: 159d
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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