View source for 5lot


==Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetyl-CoA.==
<StructureSection load='5lot' size='340' side='right'caption='[[5lot]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5lot]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Leishmania_mexicana_MHOM/GT/2001/U1103 Leishmania mexicana MHOM/GT/2001/U1103]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LOT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LOT FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.25&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACO:ACETYL+COENZYME+*A'>ACO</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=5lot FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lot OCA], [https://pdbe.org/5lot PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lot RCSB], [https://www.ebi.ac.uk/pdbsum/5lot PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lot ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/E9AW84_LEIMU E9AW84_LEIMU] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Structures of the C123A variant of the dimeric Leishmania mexicana SCP2-thiolase (type-2) (Lm-thiolase), complexed with acetyl-CoA and acetoacetyl-CoA, respectively, are reported. The catalytic site of thiolase contains two oxyanion holes, OAH1 and OAH2, which are important for catalysis. The two structures reveal for the first time the hydrogen bond interactions of the CoA-thioester oxygen atom of the substrate with the hydrogen bond donors of OAH1 of a CHH-thiolase. The amino acid sequence fingerprints ( C: xS, N: EAF, G H: P) of three catalytic loops identify the active site geometry of the well-studied CNH-thiolases, whereas SCP2-thiolases (type-1, type-2) are classified as CHH-thiolases, having as corresponding fingerprints C: xS, H: DCF and G H: P. In all thiolases, OAH2 is formed by the main chain NH groups of two catalytic loops. In the well-studied CNH-thiolases, OAH1 is formed by a water (of the Wat-Asn(NEAF) dyad) and NE2 (of the GHP-histidine). In the two described liganded Lm-thiolase structures, it is seen that in this CHH-thiolase, OAH1 is formed by NE2 of His338 (HDCF) and His388 (GHP). Analysis of the OAH1 hydrogen bond networks suggests that the GHP-histidine is doubly protonated and positively charged in these complexes, whereas the HDCF histidine is neutral and singly protonated.

Crystallographic substrate binding studies of Leishmania mexicana SCP2-thiolase (type-2): unique features of oxyanion hole-1.,Harijan RK, Kiema TR, Syed SM, Qadir I, Mazet M, Bringaud F, Michels PA, Wierenga RK Protein Eng Des Sel. 2017 Jan 5. doi: 10.1093/protein/gzw080. PMID:28062645<ref>PMID:28062645</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5lot" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Leishmania mexicana MHOM/GT/2001/U1103]]
[[Category: Harijan RK]]
[[Category: Kiema T-R]]
[[Category: Wierenga RK]]