2gq3: Difference between revisions

Revision as of 05:23, 4 May 2008

mycobacterium tuberculosis malate synthase in complex with magnesium, malate, and coenzyme A

OverviewOverview

Enzymes of the glyoxylate shunt have been implicated as virulence factors in several pathogenic organisms, notably Mycobacterium tuberculosis and Candida albicans. Malate synthase has thus emerged as a promising target for design of anti-microbial agents. For this effort, it is essential to have reliable models for enzyme:substrate complexes. A 2.7 Angstroms resolution crystal structure for M. tuberculosis malate synthase in the ternary complex with magnesium, malate, and coenzyme A has been previously described. However, some unusual aspects of malate and Mg(++) binding prompted an independent determination of the structure at 2.3 Angstroms resolution, in the presence of saturating concentrations of malate. The electron density map of the complex reveals the position and conformation of coenzyme A to be unchanged from that found in the previous study. However, the coordination of Mg(++) and orientation of bound malate within the active site are different. The revised position of bound malate is consistent with a reaction mechanism that does not require reorientation of the electrophilic substrate during the catalytic cycle, while the revised Mg(++) coordination is octahedral, as expected. The results should be useful in the design of malate synthase inhibitors.

About this StructureAbout this Structure

2GQ3 is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

ReferenceReference

The product complex of M. tuberculosis malate synthase revisited., Anstrom DM, Remington SJ, Protein Sci. 2006 Aug;15(8):2002-7. PMID:16877713 Page seeded by OCA on Sun May 4 05:23:30 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:2gq3.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2gq3 |SIZE=350|CAPTION= <scene name='initialview01'>2gq3</scene>, resolution 2.30&Aring;
+The line below this paragraph, containing "STRUCTURE_2gq3", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=COA:COENZYME+A'>COA</scene>, <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MLT:MALATE+ION'>MLT</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Malate_synthase Malate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.3.9 2.3.3.9] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE= glcB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])
+-->
-|DOMAIN=
+{{STRUCTURE_2gq3|  PDB=2gq3  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2gq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gq3 OCA], [http://www.ebi.ac.uk/pdbsum/2gq3 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2gq3 RCSB]</span>
-}}
 '''mycobacterium tuberculosis malate synthase in complex with magnesium, malate, and coenzyme A'''
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 [[Category: Anstrom, D M.]]
 [[Category: Remington, S J.]]
-[[Category: coenzyme some]]
+[[Category: Coenzyme some]]
-[[Category: tim barrel]]
+[[Category: Tim barrel]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 05:23:30 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:19:56 2008''