1sy8: Difference between revisions

Line 1:

[[Image:1sy8.gif|left|200px]]<br /><applet load="1sy8" size="~~450~~" color="white" frame="true" align="right" spinBox="true"

[[Image:1sy8.gif|left|200px]]<br /><applet load="1sy8" size="350" color="white" frame="true" align="right" spinBox="true"

caption="1sy8" />

'''Structure of DNA sequence d-TGATCA by two-dimensional nuclear magnetic resonance spec and restrained molecular dynamics'''<br />

==Overview==

The 5' d-TpG 3' element is a part of DNA sequences involved in regulation, of gene expression and is also a site for intercalation of several, anticancer drugs. Solution conformation of DNA duplex d-TGATCA containing, this element has been investigated by two-dimensional NMR spectroscopy., Using a total of 12 torsional angles and 121 distance constraints, structural refinement has been carried out by restrained molecular, dynamics (rMDs) in vacuum up to 100 ps. The structure is characterized by, a large positive roll at TpG/CpA base pair step and large negative, propeller twist for AT and TA base pairs. The backbone torsional angle, gamma(O5'-C5'-C4'-C3'), of T1 residue adopts a trans-conformation which is, corroborated by short intra nucleotide T1H6-T1H5' (3.7A) distance in, nuclear overhauser effect spectroscopy (NOESY) spectra while the backbone, torsional angle, beta(P-O5'-C5'-C4'), exists in trans as well as gauche, state for T1 and C5 residues. There is evidence of significant flexibility, of the sugar-phosphate backbone with rapid inter-conversion between two, different conformers at TpG/CpA base pair step. The base sequence, dependent variations and local structural heterogeneity have important, implications in specific recognition of DNA by ligands.

The 5' d-TpG 3' element is a part of DNA sequences involved in regulation of gene expression and is also a site for intercalation of several anticancer drugs. Solution conformation of DNA duplex d-TGATCA containing this element has been investigated by two-dimensional NMR spectroscopy. Using a total of 12 torsional angles and 121 distance constraints, structural refinement has been carried out by restrained molecular dynamics (rMDs) in vacuum up to 100 ps. The structure is characterized by a large positive roll at TpG/CpA base pair step and large negative propeller twist for AT and TA base pairs. The backbone torsional angle, gamma(O5'-C5'-C4'-C3'), of T1 residue adopts a trans-conformation which is corroborated by short intra nucleotide T1H6-T1H5' (3.7A) distance in nuclear overhauser effect spectroscopy (NOESY) spectra while the backbone torsional angle, beta(P-O5'-C5'-C4'), exists in trans as well as gauche state for T1 and C5 residues. There is evidence of significant flexibility of the sugar-phosphate backbone with rapid inter-conversion between two different conformers at TpG/CpA base pair step. The base sequence dependent variations and local structural heterogeneity have important implications in specific recognition of DNA by ligands.

==About this Structure==

1SY8 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=1SY8 OCA].

1SY8 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SY8 OCA].

==Reference==

Line 23:

[[Category: tpg/cpa basepair step]]

''Page seeded by [http://~~ispc~~.weizmann.ac.il/oca OCA ] on ~~Sun Nov 25 01~~:18:~~10 2007~~''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:07:05 2008''

Navigation menu

Page actions

Page actions

Personal tools

Navigation

Search

Tools

@@ Line 1: / Line 1: @@
-[[Image:1sy8.gif|left|200px]]<br /><applet load="1sy8" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:1sy8.gif|left|200px]]<br /><applet load="1sy8" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="1sy8" />
 '''Structure of DNA sequence d-TGATCA by two-dimensional nuclear magnetic resonance spec and restrained molecular dynamics'''<br />
 ==Overview==
-The 5' d-TpG 3' element is a part of DNA sequences involved in regulation, of gene expression and is also a site for intercalation of several, anticancer drugs. Solution conformation of DNA duplex d-TGATCA containing, this element has been investigated by two-dimensional NMR spectroscopy., Using a total of 12 torsional angles and 121 distance constraints, structural refinement has been carried out by restrained molecular, dynamics (rMDs) in vacuum up to 100 ps. The structure is characterized by, a large positive roll at TpG/CpA base pair step and large negative, propeller twist for AT and TA base pairs. The backbone torsional angle, gamma(O5'-C5'-C4'-C3'), of T1 residue adopts a trans-conformation which is, corroborated by short intra nucleotide T1H6-T1H5' (3.7A) distance in, nuclear overhauser effect spectroscopy (NOESY) spectra while the backbone, torsional angle, beta(P-O5'-C5'-C4'), exists in trans as well as gauche, state for T1 and C5 residues. There is evidence of significant flexibility, of the sugar-phosphate backbone with rapid inter-conversion between two, different conformers at TpG/CpA base pair step. The base sequence, dependent variations and local structural heterogeneity have important, implications in specific recognition of DNA by ligands.
+The 5' d-TpG 3' element is a part of DNA sequences involved in regulation of gene expression and is also a site for intercalation of several anticancer drugs. Solution conformation of DNA duplex d-TGATCA containing this element has been investigated by two-dimensional NMR spectroscopy. Using a total of 12 torsional angles and 121 distance constraints, structural refinement has been carried out by restrained molecular dynamics (rMDs) in vacuum up to 100 ps. The structure is characterized by a large positive roll at TpG/CpA base pair step and large negative propeller twist for AT and TA base pairs. The backbone torsional angle, gamma(O5'-C5'-C4'-C3'), of T1 residue adopts a trans-conformation which is corroborated by short intra nucleotide T1H6-T1H5' (3.7A) distance in nuclear overhauser effect spectroscopy (NOESY) spectra while the backbone torsional angle, beta(P-O5'-C5'-C4'), exists in trans as well as gauche state for T1 and C5 residues. There is evidence of significant flexibility of the sugar-phosphate backbone with rapid inter-conversion between two different conformers at TpG/CpA base pair step. The base sequence dependent variations and local structural heterogeneity have important implications in specific recognition of DNA by ligands.
 ==About this Structure==
-SY8 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1SY8 OCA].
+SY8 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SY8 OCA].
 ==Reference==
@@ Line 23: / Line 23: @@
 [[Category: tpg/cpa basepair step]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 01:18:10 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:07:05 2008''