4i9d

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{{STRUCTURE_4i9d| PDB=4i9d | SCENE= }}
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==X-ray structure of NikA in complex with Fe-N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl==
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===X-ray structure of NikA in complex with Fe-N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl===
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<StructureSection load='4i9d' size='340' side='right' caption='[[4i9d]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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{{ABSTRACT_PUBMED_23440925}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4i9d]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_bl21(de3) Escherichia coli bl21(de3)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4I9D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4I9D FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=L4D:{(S)-N-(2-{METHYL[(PYRIDIN-2-YL-KAPPAN)METHYL]AMINO-KAPPAN}ETHYL)-N-[(PYRIDIN-2-YL-KAPPAN)METHYL]GLYCINATO-KAPPA~2~N,O}IRON(2+)'>L4D</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4dcx|4dcx]], [[4dcy|4dcy]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">b3476, JW3441, nikA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=469008 Escherichia coli BL21(DE3)])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nickel-transporting_ATPase Nickel-transporting ATPase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.3.24 3.6.3.24] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4i9d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4i9d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4i9d RCSB], [http://www.ebi.ac.uk/pdbsum/4i9d PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The substrate for an artificial iron monooxygenase was selected by using docking calculations. The high catalytic efficiency of the reported enzyme for sulfide oxidation was directly correlated to the predicted substrate binding mode in the protein cavity, thus illustrating the synergetic effect of the substrate binding site, protein scaffold, and catalytic site.
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==About this Structure==
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An artificial oxygenase built from scratch: substrate binding site identified using a docking approach.,Esmieu C, Cherrier MV, Amara P, Girgenti E, Marchi-Delapierre C, Oddon F, Iannello M, Jorge-Robin A, Cavazza C, Menage S Angew Chem Int Ed Engl. 2013 Apr 2;52(14):3922-5. doi: 10.1002/anie.201209021., Epub 2013 Feb 25. PMID:23440925<ref>PMID:23440925</ref>
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[[4i9d]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_bl21(de3) Escherichia coli bl21(de3)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4I9D OCA].
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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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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Nickel-transporting ATPase]]
[[Category: Nickel-transporting ATPase]]
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[[Category: Amara, P.]]
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[[Category: Amara, P]]
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[[Category: Cavazza, C.]]
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[[Category: Cavazza, C]]
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[[Category: Cherrier, M V.]]
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[[Category: Cherrier, M V]]
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[[Category: Iannello, M.]]
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[[Category: Iannello, M]]
[[Category: Metal transport]]
[[Category: Metal transport]]
[[Category: Protein-bound iron complex]]
[[Category: Protein-bound iron complex]]
[[Category: Transport protein]]
[[Category: Transport protein]]

Revision as of 13:35, 4 January 2015

X-ray structure of NikA in complex with Fe-N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl

4i9d, resolution 1.70Å

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