2g1k: Difference between revisions

Revision as of 04:35, 4 May 2008

Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate at 1.75 angstrom resolution

OverviewOverview

Shikimate kinase (SK) and other enzymes in the shikimate pathway are potential targets for developing nontoxic antimicrobial agents, herbicides, and antiparasite drugs, because the pathway is essential in microorganisms, plants, and parasites but absent from mammals. SK catalyzes the reaction of phosphoryl transfer from ATP to shikimic acid (SA). Since 2002, a total of 11 SK structures have been reported, but none contains either the two substrate (SA and ATP) or the two product (SA-phosphate and ADP) molecules. Here, we present three crystal structures of SK from Mycobacterium tuberculosis (MtSK), including apo-MtSK, a binary complex MtSK x SA, and the ternary complex of MtSK with SA and an ATP analogue, AMPPCP. The structures of apo-MtSK and MtSK x AMPPCP x SA make it possible to elucidate the conformational changes of MtSK upon the binding of both substrates; the structure of MtSK x AMPPCP x SA reveals interactions between the protein and gamma-phosphate which indicate dynamic roles of catalytic residues Lys15 and Arg117.

About this StructureAbout this Structure

2G1K is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

ReferenceReference

Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimic acid and an ATP analogue., Gan J, Gu Y, Li Y, Yan H, Ji X, Biochemistry. 2006 Jul 18;45(28):8539-45. PMID:16834327 Page seeded by OCA on Sun May 4 04:35:28 2008

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OCA

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 [[Image:2g1k.gif|left|200px]]
- {{Structure
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+The line below this paragraph, containing "STRUCTURE_2g1k", creates the "Structure Box" on the page.
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+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=SKM:(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>SKM</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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/Shikimate_kinase Shikimate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.71 2.7.1.71] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE= aroK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])
+-->
-|DOMAIN=
+{{STRUCTURE_2g1k|  PDB=2g1k  |  SCENE=  }}
-|RELATEDENTRY=[[1l4u|1L4U]], [[1l4y|1L4Y]], [[1u8a|1U8A]], [[1we2|1WE2]], [[1zyu|1ZYU]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2g1k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2g1k OCA], [http://www.ebi.ac.uk/pdbsum/2g1k PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2g1k RCSB]</span>
-}}
 '''Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate at 1.75 angstrom resolution'''
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 [[Category: Li, Y.]]
 [[Category: Yan, H.]]
-[[Category: drug design]]
+[[Category: Drug design]]
-[[Category: shikimate kinase]]
+[[Category: Shikimate kinase]]
-[[Category: shikimate pathway]]
+[[Category: Shikimate pathway]]
-[[Category: ternary complex]]
+[[Category: Ternary complex]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 04:35:28 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:10:33 2008''