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1w3r

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[[Image:1w3r.jpg|left|200px]]
[[Image:1w3r.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1w3r |SIZE=350|CAPTION= <scene name='initialview01'>1w3r</scene>, resolution 1.90&Aring;
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The line below this paragraph, containing "STRUCTURE_1w3r", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:2mn+Binding+Site+For+Chain+A'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=2MN:2-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)ETHANOL'>2MN</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=PYR:PYRUVIC+ACID'>PYR</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1w3r| PDB=1w3r | 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=1w3r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w3r OCA], [http://www.ebi.ac.uk/pdbsum/1w3r PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1w3r RCSB]</span>
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}}
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'''NIMA FROM D. RADIODURANS WITH METRONIDAZOLE AND PYRUVATE'''
'''NIMA FROM D. RADIODURANS WITH METRONIDAZOLE AND PYRUVATE'''
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[[Category: Terradot, L.]]
[[Category: Terradot, L.]]
[[Category: 5-nitroimidazole resistance]]
[[Category: 5-nitroimidazole resistance]]
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[[Category: antibiotic resistance]]
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[[Category: Antibiotic resistance]]
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[[Category: catalytic mechanism]]
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[[Category: Catalytic mechanism]]
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[[Category: deinococcus radioduran]]
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[[Category: Deinococcus radioduran]]
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[[Category: nim gene]]
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[[Category: Nim gene]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 13:06:59 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:30:45 2008''
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Revision as of 10:06, 3 May 2008

Template:STRUCTURE 1w3r

NIMA FROM D. RADIODURANS WITH METRONIDAZOLE AND PYRUVATE


Overview

5-Nitroimidazole-based antibiotics are compounds extensively used for treating infections in humans and animals caused by several important pathogens. They are administered as prodrugs, and their activation depends upon an anaerobic 1-electron reduction of the nitro group by a reduction pathway in the cells. Bacterial resistance toward these drugs is thought to be caused by decreased drug uptake and/or an altered reduction efficiency. One class of resistant strains, identified in Bacteroides, has been shown to carry Nim genes (NimA, -B, -C, -D, and -E), which encode for reductases that convert the nitro group on the antibiotic into a non-bactericidal amine. In this paper, we have described the crystal structure of NimA from Deinococcus radiodurans (drNimA) at 1.6 A resolution. We have shown that drNimA is a homodimer in which each monomer adopts a beta-barrel fold. We have identified the catalytically important His-71 along with the cofactor pyruvate and antibiotic binding sites, all of which are found at the monomer-monomer interface. We have reported three additional crystal structures of drNimA, one in which the antibiotic metronidazole is bound to the protein, one with pyruvate covalently bound to His-71, and one with lactate covalently bound to His-71. Based on these structures, a reaction mechanism has been proposed in which the 2-electron reduction of the antibiotic prevents accumulation of the toxic nitro radical. This mechanism suggests that Nim proteins form a new class of reductases, conferring resistance against 5-nitroimidazole-based antibiotics.

About this Structure

1W3R is a Single protein structure of sequence from Deinococcus radiodurans. Full crystallographic information is available from OCA.

Reference

Structural basis of 5-nitroimidazole antibiotic resistance: the crystal structure of NimA from Deinococcus radiodurans., Leiros HK, Kozielski-Stuhrmann S, Kapp U, Terradot L, Leonard GA, McSweeney SM, J Biol Chem. 2004 Dec 31;279(53):55840-9. Epub 2004 Oct 18. PMID:15492014 Page seeded by OCA on Sat May 3 13:06:59 2008

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