1q52

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[[Image:1q52.gif|left|200px]]
 
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{{Structure
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==Crystal Structure of Mycobacterium tuberculosis MenB, a Key Enzyme in Vitamin K2 Biosynthesis==
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|PDB= 1q52 |SIZE=350|CAPTION= <scene name='initialview01'>1q52</scene>, resolution 1.80&Aring;
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<StructureSection load='1q52' size='340' side='right'caption='[[1q52]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND=
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<table><tr><td colspan='2'>[[1q52]] is a 12 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=1Q52 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1Q52 FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Naphthoate_synthase Naphthoate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.3.36 4.1.3.36]
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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]] 1.8&#8491;</td></tr>
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|GENE=
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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=1q52 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q52 OCA], [https://pdbe.org/1q52 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1q52 RCSB], [https://www.ebi.ac.uk/pdbsum/1q52 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1q52 ProSAT]</span></td></tr>
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}}
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</table>
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== Function ==
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'''Crystal Structure of Mycobacterium tuberculosis MenB, a Key Enzyme in Vitamin K2 Biosynthesis'''
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[https://www.uniprot.org/uniprot/MENB_MYCTU MENB_MYCTU] Converts o-succinylbenzoyl-CoA (OSB-CoA) to 1,4-dihydroxy-2-naphthoyl-CoA (DHNA-CoA).<ref>PMID:12909628</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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==Overview==
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Check<jmol>
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Bacterial enzymes of the menaquinone (Vitamin K2) pathway are potential drug targets because they lack human homologs. MenB, 1,4-dihydroxy-2-naphthoyl-CoA synthase, the fourth enzyme in the biosynthetic pathway leading from chorismate to menaquinone, catalyzes the conversion of O-succinylbenzoyl-CoA (OSB-CoA) to 1,4-dihydroxy-2-naphthoyl-CoA (DHNA-CoA). Based on our interest in developing novel tuberculosis chemotherapeutics, we have solved the structures of MenB from Mycobacterium tuberculosis and its complex with acetoacetyl-coenzyme A at 1.8 and 2.3 A resolution, respectively. Like other members of the crotonase superfamily, MenB folds as an (alpha3)2 hexamer, but its fold is distinct in that the C terminus crosses the trimer-trimer interface, forming a flexible part of the active site within the opposing trimer. The highly conserved active site of MenB contains a deep pocket lined by Asp-192, Tyr-287, and hydrophobic residues. Mutagenesis shows that Asp-192 and Tyr-287 are essential for enzymatic catalysis. We postulate a catalytic mechanism in which MenB enables proton transfer within the substrate to yield an oxyanion as the initial step in catalysis. Knowledge of the active site geometry and characterization of the catalytic mechanism of MenB will aid in identifying new inhibitors for this potential drug target.
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/q5/1q52_consurf.spt"</scriptWhenChecked>
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==About this Structure==
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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1Q52 is a [[Single protein]] structure of sequence from [http://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=1Q52 OCA].
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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==Reference==
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1q52 ConSurf].
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Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis., Truglio JJ, Theis K, Feng Y, Gajda R, Machutta C, Tonge PJ, Kisker C, J Biol Chem. 2003 Oct 24;278(43):42352-60. Epub 2003 Aug 8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12909628 12909628]
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<div style="clear:both"></div>
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[[Category: Mycobacterium tuberculosis h37rv]]
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== References ==
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[[Category: Naphthoate synthase]]
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<references/>
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[[Category: Single protein]]
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__TOC__
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[[Category: Feng, Y.]]
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</StructureSection>
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[[Category: Gajda, R.]]
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[[Category: Large Structures]]
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[[Category: Kisker, C.]]
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[[Category: Mycobacterium tuberculosis H37Rv]]
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[[Category: Machutta, C.]]
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[[Category: Feng Y]]
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[[Category: TBSGC, TB Structural Genomics Consortium.]]
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[[Category: Gajda R]]
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[[Category: Theis, K.]]
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[[Category: Kisker C]]
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[[Category: Tonge, P J.]]
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[[Category: Machutta C]]
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[[Category: Truglio, J J.]]
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[[Category: Theis K]]
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[[Category: lyase]]
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[[Category: Tonge PJ]]
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[[Category: protein structure initiative]]
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[[Category: Truglio JJ]]
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[[Category: psi]]
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[[Category: structural genomic]]
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[[Category: tb structural genomics consortium]]
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[[Category: tbsgc]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:33:03 2008''
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Current revision

Crystal Structure of Mycobacterium tuberculosis MenB, a Key Enzyme in Vitamin K2 Biosynthesis

PDB ID 1q52

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