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PDBsum entry 376d

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DNA PDB id
376d
Contents
DNA/RNA
Ligands
NCO
Waters ×18

References listed in PDB file
Key reference
Title A zipper-Like duplex in DNA: the crystal structure of d(gcgaaagct) at 2.1 a resolution.
Authors W.Shepard, W.B.Cruse, R.Fourme, E.De la fortelle, T.Prangé.
Ref. Structure, 1998, 6, 849-861. [DOI no: 10.1016/S0969-2126(98)00087-2]
PubMed id 9687367
Abstract
BACKGROUND: The replication origin of the single-stranded (ss)DNA bacteriophage G4 has been proposed to fold into a hairpin loop containing the sequence GCGAAAGC. This sequence comprises a purine-rich motif (GAAA), which also occurs in conserved repetitive sequences of centromeric DNA. ssDNA analogues of these sequences often show exceptional stability which is associated with hairpin loops or unusual duplexes, and may be important in DNA replication and centromere function. Nuclear magnetic resonance (NMR) studies indicate that the GCGAAAGC sequence forms a hairpin loop in solution, while centromere-like repeats dimerise into unusual duplexes. The factors stabilising these unusual secondary structure elements in ssDNA, however, are poorly understood. RESULTS: The nonamer d(GCGAAAGCT) was crystallised as a bromocytosine derivative in the presence of cobalt hexammine. The crystal structure, solved by the multiple wavelength anomalous dispersion (MAD) method at the bromine K-edge, reveals an unexpected zipper-like motif in the middle of a standard B-DNA duplex. Four central adenines, flanked by two sheared G.A mismatches, are intercalated and stacked on top of each other without any interstrand Watson-Crick base pairing. The cobalt hexammine cation appears to participate only in crystal cohesion. CONCLUSIONS: The GAAA consensus sequence can dimerise into a stable zipper-like duplex as well as forming a hairpin loop. The arrangement closes the minor groove and exposes the intercalated, unpaired, adenines to the solvent and DNA-binding proteins. Such a motif, which can transform into a hairpin, should be considered as a structural option in modelling DNA and as a potential binding site, where it could have a role in DNA replication, nuclease resistance, ssDNA genome packaging and centromere function.
Figure 3.
Figure 3. Stereo view of the zipper-like motif. A closeup view of the central adenine tract cut out from the duplex. The figure illustrates the substantial buckling of the sheared G·A mismatch located at the bottom of the figure. Atoms are shown in standard colours.
The above figure is reprinted by permission from Cell Press: Structure (1998, 6, 849-861) copyright 1998.
Secondary reference #1
Title Rna tertiary structure mediation by adenosine platforms.
Authors J.H.Cate, A.R.Gooding, E.Podell, K.Zhou, B.L.Golden, A.A.Szewczak, C.E.Kundrot, T.R.Cech, J.A.Doudna.
Ref. Science, 1996, 273, 1696-1699. [DOI no: 10.1126/science.273.5282.1696]
PubMed id 8781229
Full text Abstract
Secondary reference #2
Title Solution structure of a metal-Binding site in the major groove of RNA complexed with cobalt (III) hexammine.
Authors J.S.Kieft, I.Tinoco.
Ref. Structure, 1997, 5, 713-721. [DOI no: 10.1016/S0969-2126(97)00225-6]
PubMed id 9195889
Full text Abstract
Figure 4.
Figure 4. Stereoview of the average structure of the P5b stem loop-cobalt (III) hexammine complex. The ligand is located in the major groove near the two guanines of the G-U base pairs. The G-U base pairs are shown in yellow, the GAAA tetraloop is shown in light green, the cobalt (III) hexammine is shown in red and the rest of the molecule is in blue. Note that the cobalt (III) hexammine ion is located near the guanine residues, in position to hydrogen bond to the guanine base carbonyl oxygen and N7 groups.
The above figure is reproduced from the cited reference with permission from Cell Press
Secondary reference #3
Title Extraordinary stable structure of short single-Stranded DNA fragments containing a specific base sequence: d(gcgaaagc).
Authors I.Hirao, Y.Nishimura, T.Naraoka, K.Watanabe, Y.Arata, K.Miura.
Ref. Nucleic Acids Res, 1989, 17, 2223-2231.
PubMed id 2704619
Abstract
Secondary reference #4
Title Structural basis for stabilization of z-Dna by cobalt hexaammine and magnesium cations.
Authors R.V.Gessner, G.J.Quigley, A.H.Wang, G.A.Van der marel, J.H.Van boom, A.Rich, A.Rich.
Ref. Biochemistry, 1985, 24, 237-240. [DOI no: 10.1021/bi00323a001]
PubMed id 3978072
Full text Abstract
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