2x1k

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[[Image:2x1k.png|left|200px]]
 
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==H71S mutant of the antibiotic resistance protein NimA from Deinococcus radiodurans==
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The line below this paragraph, containing "STRUCTURE_2x1k", creates the "Structure Box" on the page.
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<StructureSection load='2x1k' size='340' side='right'caption='[[2x1k]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2x1k]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Deinococcus_radiodurans Deinococcus radiodurans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2X1K OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2X1K FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.55&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene></td></tr>
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{{STRUCTURE_2x1k| PDB=2x1k | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2x1k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2x1k OCA], [https://pdbe.org/2x1k PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2x1k RCSB], [https://www.ebi.ac.uk/pdbsum/2x1k PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2x1k ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q9RW27_DEIRA Q9RW27_DEIRA]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Metronidazole (MTZ) is an antibiotic commonly used to treat anaerobic bacterial infections in humans and animals. Antibiotic resistance toward this class of 5-nitroimidazole (5-Ni) drug derivatives has been related to the Nim genes thought to encode a reductase. Here we report the biophysical characteristics of the NimA protein from Deinococcus radiodurans (DrNimA) binding to MTZ and three other 5-Ni drugs. The interaction energies of the protein and antibiotic are studied by isothermal titration calorimetry (ITC) and with free energy and linear interaction energy (LIE) calculations, where the latter method revealed that the antibiotic binding is mainly of hydrophobic character. ITC measurements further found that one DrNimA dimer has two antibiotic binding sites which were not affected by mutation of the reactive His71. The observed association constants (K(a)) were in the range of 5.1-4910(4)M(-1) and the enthalpy release upon binding to DrNimA for the four drugs studied was relatively low (approximately -1 kJ/mol) but still measurable. The drug binding is mainly entropy driven and along with the hydrophobic drug binding site found by crystallography, this possibly explains the low observed enthalpy values. The effect of the His71 mutation and the presence of MTZ were studied by differential scanning calorimetry (DSC). Native DrNimA is a yellow colored protein where the interaction from His71 to the cofactor is thought to be responsible for the coloring. Mutations of His71 to Ala, Ser, Leu or Asp all gave transparent, colorless protein solutions, and the two mutant crystal structures of DrNimA-H71A and DrNimA-H71S presented revealed no cofactor binding.
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===H71S MUTANT OF THE ANTIBIOTIC RESISTANCE PROTEIN NIMA FROM DEINOCOCCUS RADIODURANS===
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Biophysical characterization and mutational analysis of the antibiotic resistance protein NimA from Deinococcus radiodurans.,Leiros HK, Brandsdal BO, McSweeney SM Biochim Biophys Acta. 2010 Apr;1804(4):967-76. Epub 2010 Jan 21. PMID:20096385<ref>PMID:20096385</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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The line below this paragraph, {{ABSTRACT_PUBMED_20096385}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 2x1k" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 20096385 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_20096385}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[2x1k]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Deinococcus_radiodurans Deinococcus radiodurans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2X1K OCA].
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==Reference==
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<ref group="xtra">PMID:20096385</ref><ref group="xtra">PMID:15492014</ref><references group="xtra"/>
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[[Category: Deinococcus radiodurans]]
[[Category: Deinococcus radiodurans]]
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[[Category: Brandsdal, B O.]]
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[[Category: Large Structures]]
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[[Category: Leiros, H S.]]
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[[Category: Brandsdal BO]]
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[[Category: Mcsweeney, S M.]]
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[[Category: Leiros HS]]
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[[Category: Antibiotic resistance]]
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[[Category: McSweeney SM]]
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[[Category: Oxidoreductase]]
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Current revision

H71S mutant of the antibiotic resistance protein NimA from Deinococcus radiodurans

PDB ID 2x1k

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