1ekh
From Proteopedia
| Line 1: | Line 1: | ||
| - | [[Image:1ekh.gif|left|200px]] | + | [[Image:1ekh.gif|left|200px]] |
| - | + | ||
| - | '''NMR STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT''' | + | {{Structure |
| + | |PDB= 1ekh |SIZE=350|CAPTION= <scene name='initialview01'>1ekh</scene> | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene> and <scene name='pdbligand=DXB:1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE'>DXB</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''NMR STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT''' | ||
| + | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
| - | 1EKH is a [ | + | 1EKH is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/ ]. This structure supersedes the now removed PDB entry 1CQB. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EKH OCA]. |
==Reference== | ==Reference== | ||
| - | A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance., Gochin M, Structure. 2000 Apr 15;8(4):441-52. PMID:[http:// | + | A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance., Gochin M, Structure. 2000 Apr 15;8(4):441-52. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10801486 10801486] |
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Gochin, M.]] | [[Category: Gochin, M.]] | ||
| Line 17: | Line 26: | ||
[[Category: drug bound in the minor groove of dna]] | [[Category: drug bound in the minor groove of dna]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 10:56:50 2008'' |
Revision as of 08:56, 20 March 2008
| |||||||
| Ligands: | and | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
NMR STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT
Overview
BACKGROUND: The drug chromomycin-A(3) binds to the minor groove of DNA and requires a divalent metal ion for complex formation. (1)H, (31)P and (13)C pseudocontact shifts occurring in the presence of a tightly bound divalent cobalt ion in the complex between d(TTGGCCAA)(2) and chromomycin-A(3) have been used to determine the structure of the complex. The accuracy of the structure was verified by validation with nuclear Overhauser enhancements (NOEs) and J-coupling constants not used in the structure calculation. RESULTS: The final structure was determined to 0.7 A resolution. The structure was compared with a structure obtained in an earlier study using NOEs, in order to assess the accuracy of NOEs in giving global structural information for a DNA complex. Although some basic features of the structures agreed, they differed substantially in the fine structural details and in the DNA axis curvature generated by the drug. The distortion of base-pair planarity that was observed in the NOE structure was not seen in our structure. Differences in drug orientation and hydrogen bonding also occurred. The curvature and elongation of the DNA that was obtained previously was not found to occur in our study. CONCLUSIONS: The use of pseudocontact shifts has enabled us to obtain a high-precision global structure of the chromomycin-DNA complex, which provides an accurate template on which to consider targeting minor groove binding drugs. The effect of such binding is not propagated far along the helix but is restricted to a local kink in the axis that reverts to its original direction within four base pairs.
About this Structure
1EKH is a Protein complex structure of sequences from [1]. This structure supersedes the now removed PDB entry 1CQB. Full crystallographic information is available from OCA.
Reference
A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance., Gochin M, Structure. 2000 Apr 15;8(4):441-52. PMID:10801486
Page seeded by OCA on Thu Mar 20 10:56:50 2008
