3ivc: Difference between revisions

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{{STRUCTURE_3ivc|  PDB=3ivc  |  SCENE=  }}
===Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid===


==Function==
==Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid==
[[http://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU]] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>  
<StructureSection load='3ivc' size='340' side='right'caption='[[3ivc]], [[Resolution|resolution]] 2.13&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[3ivc]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IVC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3IVC FirstGlance]. <br>
[[3ivc]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IVC OCA].  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.13&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EOH:ETHANOL'>EOH</scene>, <scene name='pdbligand=FG4:{2-[(1-BENZOFURAN-2-YLMETHOXY)CARBONYL]-5-METHOXY-1H-INDOL-1-YL}ACETIC+ACID'>FG4</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=3ivc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ivc OCA], [https://pdbe.org/3ivc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ivc RCSB], [https://www.ebi.ac.uk/pdbsum/3ivc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ivc ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>  
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/iv/3ivc_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=3ivc ConSurf].
<div style="clear:both"></div>


==See Also==
==See Also==
*[[Pantothenate synthetase|Pantothenate synthetase]]
*[[Pantothenate synthetase|Pantothenate synthetase]]
 
== References ==
==Reference==
<references/>
<ref group="xtra">PMID:019780086</ref><references group="xtra"/><references/>
__TOC__
[[Category: Mycobacterium tuberculosis]]
</StructureSection>
[[Category: Pantoate--beta-alanine ligase]]
[[Category: Large Structures]]
[[Category: Abell, C.]]
[[Category: Blundell, T L.]]
[[Category: Ciulli, A.]]
[[Category: Hung, A W.]]
[[Category: Silvestre, H L.]]
[[Category: Wen, S.]]
[[Category: Atp-binding]]
[[Category: Fragment-based lead discovery]]
[[Category: Ligase]]
[[Category: Magnesium]]
[[Category: Metal-binding]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Nucleotide-binding]]
[[Category: Abell C]]
[[Category: Pantothenate biosynthesis]]
[[Category: Blundell TL]]
[[Category: Pantothenate synthetase]]
[[Category: Ciulli A]]
[[Category: Hung AW]]
[[Category: Silvestre HL]]
[[Category: Wen S]]

Latest revision as of 10:58, 6 September 2023

Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acidCrystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid

Structural highlights

3ivc is a 2 chain structure with sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.13Å
Ligands:, , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

PANC_MYCTU Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.[1]

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

References

  1. ↑ Zheng R, Blanchard JS. Steady-state and pre-steady-state kinetic analysis of Mycobacterium tuberculosis pantothenate synthetase. Biochemistry. 2001 Oct 30;40(43):12904-12. PMID:11669627

3ivc, resolution 2.13Å

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