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6bna

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[[Image:6bna.jpg|left|200px]]<br /><applet load="6bna" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:6bna.jpg|left|200px]]
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caption="6bna, resolution 2.210&Aring;" />
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'''BINDING OF AN ANTITUMOR DRUG TO DNA. NETROPSIN AND C-G-C-G-A-A-T-T-BRC-G-C-G'''<br />
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{{Structure
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|PDB= 6bna |SIZE=350|CAPTION= <scene name='initialview01'>6bna</scene>, resolution 2.210&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=NT:NETROPSIN'>NT</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''BINDING OF AN ANTITUMOR DRUG TO DNA. NETROPSIN AND C-G-C-G-A-A-T-T-BRC-G-C-G'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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6BNA is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=NT:'>NT</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BNA OCA].
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6BNA 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=6BNA OCA].
==Reference==
==Reference==
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Binding of an antitumor drug to DNA, Netropsin and C-G-C-G-A-A-T-T-BrC-G-C-G., Kopka ML, Yoon C, Goodsell D, Pjura P, Dickerson RE, J Mol Biol. 1985 Jun 25;183(4):553-63. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=2991536 2991536]
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Binding of an antitumor drug to DNA, Netropsin and C-G-C-G-A-A-T-T-BrC-G-C-G., Kopka ML, Yoon C, Goodsell D, Pjura P, Dickerson RE, J Mol Biol. 1985 Jun 25;183(4):553-63. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/2991536 2991536]
[[Category: Protein complex]]
[[Category: Protein complex]]
[[Category: Dickerson, R E.]]
[[Category: Dickerson, R E.]]
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[[Category: modified]]
[[Category: modified]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:16:08 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 19:13:11 2008''

Revision as of 17:13, 20 March 2008

Image:6bna.jpg


PDB ID 6bna

Drag the structure with the mouse to rotate
, resolution 2.210Å
Ligands:
Coordinates: save as pdb, mmCIF, xml



BINDING OF AN ANTITUMOR DRUG TO DNA. NETROPSIN AND C-G-C-G-A-A-T-T-BRC-G-C-G


Overview

The antitumor antibiotic netropsin has been co-crystallized with a double-helical B-DNA dodecanucleotide of sequence: C-G-C-G-A-A-T-T-BrC-G-C-G, and the structure of the complex has been solved by X-ray diffraction at a resolution of 2.2 A. The structure has been refined independently by Jack-Levitt and Hendrickson-Konnert least-squares methods, leading to a final residual error of 0.257 by the Jack-Levitt approach (0.211 for two-sigma data) or 0.248 by the Hendrickson-Konnert approach, with no significant difference between refined structures. The netropsin molecule displaces the spine of hydration and fits snugly within the minor groove in the A-A-T-T center. It widens the groove slightly and bends the helix axis back by 8 degrees, but neither unwinds nor elongates the double helix. The drug molecule is held in place by amide NH hydrogen bonds that bridge adenine N-3 and thymine O-2 atoms, exactly as with the spine of hydration. The requirement of A X T base-pairs in the binding site arises because the N-2 amino group of guanine would demand impermissibly close contacts with netropsin. It is proposed that substitution of imidazole for pyrrole in netropsin should create a family of "lexitropsins" capable of reading G X C-containing base sequences.

About this Structure

6BNA is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

Binding of an antitumor drug to DNA, Netropsin and C-G-C-G-A-A-T-T-BrC-G-C-G., Kopka ML, Yoon C, Goodsell D, Pjura P, Dickerson RE, J Mol Biol. 1985 Jun 25;183(4):553-63. PMID:2991536

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