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1mxk

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[[Image:1mxk.gif|left|200px]]<br /><applet load="1mxk" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1mxk.gif|left|200px]]
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caption="1mxk" />
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'''NMR Structure of HO2-Co(III)bleomycin A(2) Bound to d(GGAAGCTTCC)(2)'''<br />
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{{Structure
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|PDB= 1mxk |SIZE=350|CAPTION= <scene name='initialview01'>1mxk</scene>
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|SITE=
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|LIGAND= <scene name='pdbligand=3CO:COBALT+(III)+ION'>3CO</scene>, <scene name='pdbligand=BLM:BLEOMYCIN+A2'>BLM</scene> and <scene name='pdbligand=PEO:HYDROGEN PEROXIDE'>PEO</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''NMR Structure of HO2-Co(III)bleomycin A(2) Bound to d(GGAAGCTTCC)(2)'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1MXK is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=3CO:'>3CO</scene>, <scene name='pdbligand=BLM:'>BLM</scene> and <scene name='pdbligand=PEO:'>PEO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MXK OCA].
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1MXK 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=1MXK OCA].
==Reference==
==Reference==
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Structures of HO(2)-Co(III)bleomycin A(2) bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): structure-reactivity relationships of Co and Fe bleomycins., Zhao C, Xia C, Mao Q, Forsterling H, DeRose E, Antholine WE, Subczynski WK, Petering DH, J Inorg Biochem. 2002 Jul 25;91(1):259-68. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12121784 12121784]
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Structures of HO(2)-Co(III)bleomycin A(2) bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): structure-reactivity relationships of Co and Fe bleomycins., Zhao C, Xia C, Mao Q, Forsterling H, DeRose E, Antholine WE, Subczynski WK, Petering DH, J Inorg Biochem. 2002 Jul 25;91(1):259-68. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12121784 12121784]
[[Category: Protein complex]]
[[Category: Protein complex]]
[[Category: Antholine, W E.]]
[[Category: Antholine, W E.]]
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[[Category: drug-dna complex]]
[[Category: drug-dna complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:00:11 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:49:28 2008''

Revision as of 10:49, 20 March 2008

Image:1mxk.gif


PDB ID 1mxk

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Ligands: , and
Coordinates: save as pdb, mmCIF, xml



NMR Structure of HO2-Co(III)bleomycin A(2) Bound to d(GGAAGCTTCC)(2)


Overview

HO(2)-Co(III)bleomycin is a model for HO(2)-Fe(III)bleomycin, which initiates single and double strand cleavage of DNA. In order to enlarge the understanding of its structure and reactivity, three-dimensional structures of HO(2)-Co(III)bleomycin bound to two DNA oligomers, d(GAGCTC)(2) (I) and d(GGAAGCTTCC)(2) (II), that have 5'-GC-3' binding sites, have been determined by nuclear magnetic resonance (NMR) methods. Besides previously recognized determinants of binding selectivity, a probable hydrogen bond was detected between the pyrimidinyl acetamido NH(2) and the carbonyl of cytosine base paired to G at the recognition site. Another hydrogen bond between the NH of the dimethylsulfonium R group and N7 of guanine opposite cytosine at the GC site may contribute to specification of the pyrimidine. Substitution of G with inosine shifted HO(2)-Co(III)Blm A(2)[bond]I and Fe(III)Blm[bond]I into fast exchange on the NMR time scale, supporting the role of the 2-amino group in site specification for each molecule. The conformationally stable metal-domain linker established a close-packed adduct with the minor groove in which the hydroperoxide ligand occupies a sterically constrained pocket that is isolated from the solvent. The hydroperoxide group is directed toward one of the two cytosine H4' hydrogens but is sterically blocked from access to the other by the drug. These findings enlarge the structural understanding of selective binding of Co(III)/Fe(III)Blm species at G-pyrimidine sites. They also rationalize the instability of a number of ligands bound to Co(III)/Fe(III)Blm at specific binding sequences and the relative unreactivity of Fe(III)Blm[bond]I with ascorbate as well as its lack of interaction with spin labels.

About this Structure

1MXK is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

Structures of HO(2)-Co(III)bleomycin A(2) bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): structure-reactivity relationships of Co and Fe bleomycins., Zhao C, Xia C, Mao Q, Forsterling H, DeRose E, Antholine WE, Subczynski WK, Petering DH, J Inorg Biochem. 2002 Jul 25;91(1):259-68. PMID:12121784

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