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5kgs

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==Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one==
==Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one==
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<StructureSection load='5kgs' size='340' side='right' caption='[[5kgs]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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<StructureSection load='5kgs' size='340' side='right'caption='[[5kgs]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5kgs]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KGS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5KGS FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5kgs]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_variant_bovis_AF2122/97 Mycobacterium tuberculosis variant bovis AF2122/97]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5KGS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5KGS 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=6SR:5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one'>6SR</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</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]] 2.1&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4w1x|4w1x]], [[4wy4|4wy4]], [[4xjo|4xjo]], [[4xjp|4xjp]], [[5kgt|5kgt]]</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=6SR:5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one'>6SR</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=PLP:PYRIDOXAL-5-PHOSPHATE'>PLP</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/Adenosylmethionine--8-amino-7-oxononanoate_transaminase Adenosylmethionine--8-amino-7-oxononanoate transaminase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.6.1.62 2.6.1.62] </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=5kgs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kgs OCA], [https://pdbe.org/5kgs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5kgs RCSB], [https://www.ebi.ac.uk/pdbsum/5kgs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5kgs 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=5kgs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5kgs OCA], [http://pdbe.org/5kgs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5kgs RCSB], [http://www.ebi.ac.uk/pdbsum/5kgs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5kgs ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/BIOA_MYCBO BIOA_MYCBO]] Catalyzes the transfer of the alpha-amino group from S-adenosyl-L-methionine (SAM) to 7-keto-8-aminopelargonic acid (KAPA) to form 7,8-diaminopelargonic acid (DAPA). It is the only animotransferase known to utilize SAM as an amino donor.
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[https://www.uniprot.org/uniprot/BIOA_MYCBO BIOA_MYCBO] Catalyzes the transfer of the alpha-amino group from S-adenosyl-L-methionine (SAM) to 7-keto-8-aminopelargonic acid (KAPA) to form 7,8-diaminopelargonic acid (DAPA). It is the only animotransferase known to utilize SAM as an amino donor.
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 5kgs" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 5kgs" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Aminotransferase 3D structures|Aminotransferase 3D structures]]
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*[[7%2C8-diaminopelargonic acid synthase 3D structures|7%2C8-diaminopelargonic acid synthase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Adenosylmethionine--8-amino-7-oxononanoate transaminase]]
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[[Category: Large Structures]]
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[[Category: Aldrich, C C]]
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[[Category: Mycobacterium tuberculosis variant bovis AF2122/97]]
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[[Category: Finzel, B C]]
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[[Category: Aldrich CC]]
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[[Category: Maize, K M]]
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[[Category: Finzel BC]]
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[[Category: Plp]]
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[[Category: Maize KM]]
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[[Category: Transaminase]]
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[[Category: Transferase]]
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[[Category: Transferase-inhibitor complex]]
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[[Category: Transferase-transferase inhibitor complex]]
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Current revision

Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one

PDB ID 5kgs

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