1tg5
From Proteopedia
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|PDB= 1tg5 |SIZE=350|CAPTION= <scene name='initialview01'>1tg5</scene>, resolution 1.9Å | |PDB= 1tg5 |SIZE=350|CAPTION= <scene name='initialview01'>1tg5</scene>, resolution 1.9Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=645:[1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)-5-HYDROXY-1H-PYRAZOL-4-YL][2-CHLORO-4-(METHYLSULFONYL)PHENYL]METHANONE'>645</scene>, <scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Oxidoreductase Oxidoreductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.11.27 1.3.11.27] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Oxidoreductase Oxidoreductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.11.27 1.3.11.27] </span> |
|GENE= HPD, AT1G06570, F12K11.9 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=3702 Arabidopsis thaliana]) | |GENE= HPD, AT1G06570, F12K11.9 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=3702 Arabidopsis thaliana]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1sqd|1SQD]], [[1sqi|1SQI]], [[1tfz|1TFZ]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1tg5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tg5 OCA], [http://www.ebi.ac.uk/pdbsum/1tg5 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1tg5 RCSB]</span> | ||
}} | }} | ||
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[[Category: Walsh, T A.]] | [[Category: Walsh, T A.]] | ||
[[Category: Yang, C.]] | [[Category: Yang, C.]] | ||
| - | [[Category: 645]] | ||
| - | [[Category: FE2]] | ||
[[Category: 4-hydroxyphenylpyruvate dioxygenase]] | [[Category: 4-hydroxyphenylpyruvate dioxygenase]] | ||
[[Category: arabidopsis thaliana]] | [[Category: arabidopsis thaliana]] | ||
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[[Category: hppd]] | [[Category: hppd]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:55:39 2008'' |
Revision as of 20:55, 30 March 2008
| |||||||
| , resolution 1.9Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | HPD, AT1G06570, F12K11.9 (Arabidopsis thaliana) | ||||||
| Activity: | Oxidoreductase, with EC number 1.3.11.27 | ||||||
| Related: | 1SQD, 1SQI, 1TFZ
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structures of plant 4-hydroxyphenylpyruvate dioxygenases complexed with DAS645
Overview
A high degree of selectivity toward the target site of the pest organism is a desirable attribute for new safer agrochemicals. To assist in the design of novel herbicides, we determined the crystal structures of the herbicidal target enzyme 4-hydroxyphenylpyruvate dioxygenase (HPPD; EC 1.13.11.27) from the plant Arabidopsis thaliana with and without an herbicidal benzoylpyrazole inhibitor that potently inhibits both plant and mammalian HPPDs. We also determined the structure of a mammalian (rat) HPPD in complex with the same nonselective inhibitor. From a screening campaign of over 1000 HPPD inhibitors, six highly plant-selective inhibitors were found. One of these had remarkable (>1600-fold) selectivity toward the plant enzyme and was cocrystallized with Arabidopsis HPPD. Detailed comparisons of the plant and mammalian HPPD-ligand structures suggest a structural basis for the high degree of plant selectivity of certain HPPD inhibitors and point to design strategies to obtain potent and selective inhibitors of plant HPPD as agrochemical leads.
About this Structure
1TG5 is a Single protein structure of sequence from Arabidopsis thaliana. Full crystallographic information is available from OCA.
Reference
Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases., Yang C, Pflugrath JW, Camper DL, Foster ML, Pernich DJ, Walsh TA, Biochemistry. 2004 Aug 17;43(32):10414-23. PMID:15301540
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