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==Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + (R)-3-hydroxyisobutyrate (R-HIBA)==
==Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + (R)-3-hydroxyisobutyrate (R-HIBA)==
<StructureSection load='5y8m' size='340' side='right' caption='[[5y8m]], [[Resolution|resolution]] 2.04&Aring;' scene=''>
<StructureSection load='5y8m' size='340' side='right'caption='[[5y8m]], [[Resolution|resolution]] 2.04&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5y8m]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y8M OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y8M FirstGlance]. <br>
<table><tr><td colspan='2'>[[5y8m]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y8M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5Y8M FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9ON:(2~{S})-2-methylpentanedioic+acid'>9ON</scene>, <scene name='pdbligand=AKR:ACRYLIC+ACID'>AKR</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HIU:(2R)-3-HYDROXY-2-METHYLPROPANOIC+ACID'>HIU</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.04&#8491;</td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">mmsB, Rv0751c, MTV041.25c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9ON:(2~{S})-2-methylpentanedioic+acid'>9ON</scene>, <scene name='pdbligand=AKR:ACRYLIC+ACID'>AKR</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HIU:(2R)-3-HYDROXY-2-METHYLPROPANOIC+ACID'>HIU</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/3-hydroxyisobutyrate_dehydrogenase 3-hydroxyisobutyrate dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.31 1.1.1.31] </span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5y8m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y8m OCA], [https://pdbe.org/5y8m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5y8m RCSB], [https://www.ebi.ac.uk/pdbsum/5y8m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5y8m ProSAT]</span></td></tr>
<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=5y8m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y8m OCA], [http://pdbe.org/5y8m PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y8m RCSB], [http://www.ebi.ac.uk/pdbsum/5y8m PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y8m ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Function ==
== Publication Abstract from PubMed ==
[https://www.uniprot.org/uniprot/MMSB_MYCTU MMSB_MYCTU]
Biochemical and crystallographic studies on Mycobacterium tuberculosis 3-hydroxyisobutyric acid dehydrogenase ( Mt HIBADH), a member of the 3-hydroxyacid dehydrogenase superfamily, have been carried out. Gel filtration and blue native PAGE of Mt HIBADH show that the enzyme is a dimer. The enzyme preferentially uses NAD(+) as the cofactor and is specific to S- hydroxyisobutyric acid (HIBA). It can also use R- HIBA, L- serine and 3- hydroxypropanoic acid (3-HP) as substrates, but with much less efficiency. The pH optimum for activity is around 11. Structures of the native enzyme, the holoenzyme, binary complexes with NAD(+), S-HIBA, R-HIBA, L-serine and 3-HP and ternary complexes involving the substrates and NAD(+), have been determined. None of the already known structures of HIBADH contain a substrate molecule at the binding site. The structures reported here, provide for the first time, among other things, a clear indication of the location and interactions of the substrates at the active site. They also define the entrance of the substrates to the active site region. The structures provide information on the role of specific residues at the active site and the entrance. The results obtained from crystal structures are consistent with solution studies including mutational analysis. They lead to the proposal of a plausible mechanism of the action of the enzyme.
 
Structure, Interactions and Action of Mycobacterium tuberculosis 3-Hydroxyisobutyric Acid Dehydrogenase.,Srikalaivani R, Singh A, Surolia A, Vijayan M Biochem J. 2018 Jun 29. pii: BCJ20180271. doi: 10.1042/BCJ20180271. PMID:29959185<ref>PMID:29959185</ref>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5y8m" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: 3-hydroxyisobutyrate dehydrogenase]]
[[Category: Large Structures]]
[[Category: Myctu]]
[[Category: Mycobacterium tuberculosis H37Rv]]
[[Category: Singh, A]]
[[Category: Singh A]]
[[Category: Srikalaivani, R]]
[[Category: Srikalaivani R]]
[[Category: Surolia, A]]
[[Category: Surolia A]]
[[Category: Vijayan, M]]
[[Category: Vijayan M]]
[[Category: 3-hydroxy acid dehydrogenase]]
[[Category: Enzyme substrate interaction]]
[[Category: Mechanism of enzyme action]]
[[Category: Oxidoreductase]]

Latest revision as of 10:22, 27 March 2024

Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + (R)-3-hydroxyisobutyrate (R-HIBA)

5y8m, resolution 2.04Å

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