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4dlk

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==Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase==
==Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase==
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<StructureSection load='4dlk' size='340' side='right' caption='[[4dlk]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
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<StructureSection load='4dlk' size='340' side='right'caption='[[4dlk]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4dlk]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4DLK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DLK FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4dlk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_anthracis_str._A0248 Bacillus anthracis str. A0248]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4DLK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DLK 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=ATP:ADENOSINE-5-TRIPHOSPHATE'>ATP</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
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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]] 2.02&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3q2o|3q2o]], [[3r5h|3r5h]], [[3qff|3qff]], [[3v4s|3v4s]]</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=ATP:ADENOSINE-5-TRIPHOSPHATE'>ATP</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></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/Phosphoribosylaminoimidazole_carboxylase Phosphoribosylaminoimidazole carboxylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.1.21 4.1.1.21] </span></td></tr>
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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=4dlk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dlk OCA], [https://pdbe.org/4dlk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dlk RCSB], [https://www.ebi.ac.uk/pdbsum/4dlk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dlk ProSAT]</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=4dlk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dlk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4dlk RCSB], [http://www.ebi.ac.uk/pdbsum/4dlk PDBsum]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/A0A6L8P0X7_BACAN A0A6L8P0X7_BACAN]
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Structures of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis with various combinations of ATP, ADP, Mg(2+), bicarbonate and aminoimidazole ribonucleotide (AIR) in the active site are presented. The binding site of bicarbonate has only been speculated upon previously, but is shown here for the first time. The binding involves interactions with the conserved residues Arg272, His274 and Lys348. These structures provide insights into each ligand in the active site and allow a possible mechanism to be proposed for the reaction that converts bicarbonate and AIR, in the presence of ATP, to produce (N(5))-carboxyaminoimidazole ribonucleotide. The formation of a carboxyphosphate intermediate through ATP phosphoryl transfer is proposed, followed by carboxylation of AIR to give the product, facilitated by a cluster of conserved residues and an active-site water network.
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Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.,Tuntland ML, Santarsiero BD, Johnson ME, Fung LW Acta Crystallogr D Biol Crystallogr. 2014 Nov;70(Pt 11):3057-65. doi:, 10.1107/S1399004714021166. Epub 2014 Oct 29. PMID:25372694<ref>PMID:25372694</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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==See Also==
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</div>
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*[[Phosphoribosylaminoimidazole carboxylase 3D structures|Phosphoribosylaminoimidazole carboxylase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Phosphoribosylaminoimidazole carboxylase]]
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[[Category: Bacillus anthracis str. A0248]]
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[[Category: Fung, L W]]
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[[Category: Large Structures]]
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[[Category: Johnson, M E]]
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[[Category: Fung LW]]
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[[Category: Santarsiero, B D]]
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[[Category: Johnson ME]]
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[[Category: Tuntland, M L]]
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[[Category: Santarsiero BD]]
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[[Category: Atp binding]]
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[[Category: Tuntland ML]]
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[[Category: Carboxylase]]
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[[Category: Lyase]]
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Current revision

Crystal Structure of ATP-Ca++ complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase

PDB ID 4dlk

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