5I9I

Crystal structure of LP_PLA2 in complex with Darapladib

Summary for 5I9I

• Entry DOI: 10.2210/pdb5i9i/pdb
• Related: 5I8P
• Descriptor: Platelet-activating factor acetylhydrolase, N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: lp_pla2 inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Secreted, extracellular space: Q13093
• Total number of polymer chains: 2
• Total formula weight: 89337.30

Authors

Liu, Q.F.,Xu, Y.C. (deposition date: 2016-02-20, release date: 2016-06-15, Last modification date: 2023-11-08)

• Primary citation: Liu, Q.F.,Chen, X.D.,Chen, W.Y.,Yuan, X.J.,Su, H.X.,Shen, J.H.,Xu, Y.C.; Structural and Thermodynamic Characterization of Protein-Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors; J.Med.Chem., 59:5115-5120, 2016; PubMed: 27078579; DOI: 10.1021/acs.jmedchem.6b00282

Experimental method

X-RAY DIFFRACTION (2.7 Å)