2f9a
From Proteopedia
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|PDB= 2f9a |SIZE=350|CAPTION= <scene name='initialview01'>2f9a</scene>, resolution 2.51Å | |PDB= 2f9a |SIZE=350|CAPTION= <scene name='initialview01'>2f9a</scene>, resolution 2.51Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=F24:(3R,5S,7R,12S,13R)-13-FORMYL-12,14-DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID'>F24</scene> | + | |LIGAND= <scene name='pdbligand=F24:(3R,5S,7R,12S,13R)-13-FORMYL-12,14-DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC+ACID'>F24</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2f82|2F82]], [[2fa3|2FA3]], [[2fa0|2FA0]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2f9a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9a OCA], [http://www.ebi.ac.uk/pdbsum/2f9a PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2f9a RCSB]</span> | ||
}} | }} | ||
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[[Category: Pojer, F.]] | [[Category: Pojer, F.]] | ||
[[Category: Richard, S B.]] | [[Category: Richard, S B.]] | ||
| - | [[Category: F24]] | ||
[[Category: f-244]] | [[Category: f-244]] | ||
[[Category: hmgs1]] | [[Category: hmgs1]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:59:39 2008'' |
Revision as of 23:59, 30 March 2008
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| , resolution 2.51Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Related: | 2F82, 2FA3, 2FA0
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
HMG-CoA synthase from Brassica juncea in complex with F-244
Overview
3-Hydroxy-3-methylglutaryl CoA synthase (HMGS) catalyzes the first committed step in the mevalonate metabolic pathway for isoprenoid biosynthesis and serves as an alternative target for cholesterol-lowering and antibiotic drugs. We have determined a previously undescribed crystal structure of a eukaryotic HMGS bound covalently to a potent and specific inhibitor F-244 [(E,E)-11-[3-(hydroxymethyl)-4-oxo-2-oxytanyl]-3,5,7-trimethyl-2,4-undecad ienenoic acid]. Given the accessibility of synthetic analogs of the F-244 natural product, this inhibited eukaryotic HMGS structure serves as a necessary starting point for structure-based methods that may improve the potency and species-specific selectivity of the next generation of F-244 analogs designed to target particular eukaryotic and prokaryotic HMGS.
About this Structure
2F9A is a Single protein structure of sequence from Brassica juncea. Full crystallographic information is available from OCA.
Reference
Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases., Pojer F, Ferrer JL, Richard SB, Nagegowda DA, Chye ML, Bach TJ, Noel JP, Proc Natl Acad Sci U S A. 2006 Aug 1;103(31):11491-6. Epub 2006 Jul 24. PMID:16864776
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