7PDR

Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Dichloromezotiaz

This is a non-PDB format compatible entry.

Summary for 7PDR

• Entry DOI: 10.2210/pdb7pdr/pdb
• Descriptor: Acetylcholine-binding protein, 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione (3 entities in total)
• Functional Keywords: acetylcholine, protein, insecticide, signaling protein
• Biological source: Lymnaea stagnalis (Great pond snail, Helix stagnalis)
• Total number of polymer chains: 5
• Total formula weight: 121355.85

Authors

Montgomery, M.G. (deposition date: 2021-08-06, release date: 2022-02-02, Last modification date: 2024-01-31)

• Primary citation: Montgomery, M.,Rendine, S.,Zimmer, C.T.,Elias, J.,Schaetzer, J.,Pitterna, T.,Benfatti, F.,Skaljac, M.,Bigot, A.; Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators.; J.Med.Chem., 65:2297-2312, 2022; PubMed: 34986308; DOI: 10.1021/acs.jmedchem.1c01767

Experimental method

X-RAY DIFFRACTION (2.33 Å)