9GRR

Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with Cinmethylin

This is a non-PDB format compatible entry.

Summary for 9GRR

• Entry DOI: 10.2210/pdb9grr/pdb
• Descriptor: Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, (1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane, SULFATE ION, ... (5 entities in total)
• Functional Keywords: thioesterase, herbicide, inhibitor, cinmethylin, hydrolase
• Biological source: Arabidopsis thaliana (thale cress)
• Total number of polymer chains: 1
• Total formula weight: 34174.22

Authors

Montgomery, M.G. (deposition date: 2024-09-12, release date: 2025-05-14)

• Primary citation: Croft, R.,Montgomery, M.G.; Scaffold-hopping, Bioisosterism and Structure-Based Design in the Development of Novel Acyl-ACP Thioesterase (Fat) Inhibitors as Potential Herbicides; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.4 Å)