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146d

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[[Image:146d.gif|left|200px]]
[[Image:146d.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 146d |SIZE=350|CAPTION= <scene name='initialview01'>146d</scene>
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The line below this paragraph, containing "STRUCTURE_146d", creates the "Structure Box" on the page.
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|SITE=
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|LIGAND= <scene name='pdbligand=CRH:1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE'>CRH</scene>, <scene name='pdbligand=DA:2&#39;-DEOXYADENOSINE-5&#39;-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DC:2&#39;-DEOXYCYTIDINE-5&#39;-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DDA:2,6-DIDEOXY-BETA-D-GLUCOSE'>DDA</scene>, <scene name='pdbligand=DDL:2,6-DIDEOXY-BETA-D-GALACTOSE'>DDL</scene>, <scene name='pdbligand=DG:2&#39;-DEOXYGUANOSINE-5&#39;-MONOPHOSPHATE'>DG</scene>, <scene name='pdbligand=DT:THYMIDINE-5&#39;-MONOPHOSPHATE'>DT</scene>, <scene name='pdbligand=MDA:2,6-DIDEOXY-3+C-METHYL-D-RIBOPYRANOSIDE'>MDA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
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{{STRUCTURE_146d| PDB=146d | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=146d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=146d OCA], [http://www.ebi.ac.uk/pdbsum/146d PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=146d RCSB]</span>
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'''SOLUTION STRUCTURE OF THE MITHRAMYCIN DIMER-DNA COMPLEX'''
'''SOLUTION STRUCTURE OF THE MITHRAMYCIN DIMER-DNA COMPLEX'''
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==About this Structure==
==About this Structure==
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146D is a [[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=146D OCA].
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=146D OCA].
==Reference==
==Reference==
Solution structure of the mithramycin dimer-DNA complex., Sastry M, Patel DJ, Biochemistry. 1993 Jul 6;32(26):6588-604. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8329387 8329387]
Solution structure of the mithramycin dimer-DNA complex., Sastry M, Patel DJ, Biochemistry. 1993 Jul 6;32(26):6588-604. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8329387 8329387]
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[[Category: Protein complex]]
 
[[Category: Patel, D J.]]
[[Category: Patel, D J.]]
[[Category: Sastry, M.]]
[[Category: Sastry, M.]]
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[[Category: dna]]
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[[Category: Dna]]
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[[Category: mithramycin dimer]]
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[[Category: Mithramycin dimer]]
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[[Category: nmr]]
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[[Category: Nmr]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 09:30:13 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 18:28:12 2008''
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Revision as of 06:30, 2 May 2008

Template:STRUCTURE 146d

SOLUTION STRUCTURE OF THE MITHRAMYCIN DIMER-DNA COMPLEX


Overview

We have characterized the NMR parameters for the complexes formed by the Mg(2+)-coordinated mithramycin dimer with self-complementary d(T-G-G-C-C-A) and d(T-C-G-C-G-A) duplexes. The solution structure of the latter complex has been determined using a combined NMR-molecular dynamics study including relaxation matrix refinement. The Mg(2+)-coordinated mithramycin dimer-d(T-C-G-C-G-A) complex exhibits a 2-fold center of symmetry with the divalent cation coordinated aglycons positioned opposite the central (G3-C4).(G3-C4) segment such that the aglycon C8 hydroxyl oxygens form symmetrical sequence-specific hydrogen bonds to guanine amino protons in the complex. The C-D-E trisaccharide segments of each monomer in the mithramycin dimer adopt extended conformations, are positioned inside the minor groove, and are directed toward either end of the duplex. The C-D saccharide component of one monomer and the aglycon of the other monomer in the mithramycin dimer share a widened minor groove with the hydrophobic edges of the C and D sugars interacting with individual strands of the duplex. The E-sugar ring is positioned in the floor of the minor groove, and its hydroxyl-bearing face interacts with both strands of the duplex through hydrogen-bonding and hydrophobic intermolecular interactions. The A-B disaccharide and the hydrophilic side chain form intermolecular contacts with the sugar-phosphate backbone in the complex. The antiparallel alignment of divalent cation coordinated monomers in the mithramycin dimer results in the two outwardly directed C-D-E trisaccharide segments generating a right-handed continuous hexasaccharide domain that spans six base pairs in the minor groove of the duplex. The solution structure of the mithramycin dimer-DNA complex reported in this study and the solution structure of the chromomycin dimer-DNA complex reported previously [Gao, X., Mirau, P., & Patel, D. J. (1992) J. Mol. Biol. 223, 259-279] show global similarities, as well as local differences that are of interest. All four nucleotides in the tetranucleotide segment of the duplex centered about the sequence-specific (G-C).(G-C) step adopt A-DNA sugar puckers and glycosidic torsion angles in the chromomycin dimer-DNA complex, while only the central cytidine adopts an A-DNA sugar pucker and glycosidic torsion angle in the mithramycin dimer-DNA complex.(ABSTRACT TRUNCATED AT 400 WORDS)

About this Structure

Full crystallographic information is available from OCA.

Reference

Solution structure of the mithramycin dimer-DNA complex., Sastry M, Patel DJ, Biochemistry. 1993 Jul 6;32(26):6588-604. PMID:8329387 Page seeded by OCA on Fri May 2 09:30:13 2008

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