7P4K

Soluble epoxide hydrolase in complex with FL217

Summary for 7P4K

• Entry DOI: 10.2210/pdb7p4k/pdb
• Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide (3 entities in total)
• Functional Keywords: complex, structural genomics, structural genomics consortium, sgc, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 80388.16

Authors

Ni, X.,Kramer, J.S.,Lillich, F.,Proschak, E.,Chaikuad, A.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2021-07-11, release date: 2022-07-06, Last modification date: 2024-01-31)

• Primary citation: Lillich, F.F.,Willems, S.,Ni, X.,Kilu, W.,Borkowsky, C.,Brodsky, M.,Kramer, J.S.,Brunst, S.,Hernandez-Olmos, V.,Heering, J.,Schierle, S.,Kestner, R.I.,Mayser, F.M.,Helmstadter, M.,Gobel, T.,Weizel, L.,Namgaladze, D.,Kaiser, A.,Steinhilber, D.,Pfeilschifter, W.,Kahnt, A.S.,Proschak, A.,Chaikuad, A.,Knapp, S.,Merk, D.,Proschak, E.; Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.; J.Med.Chem., 64:17259-17276, 2021; PubMed: 34818007; DOI: 10.1021/acs.jmedchem.1c01331

Experimental method

X-RAY DIFFRACTION (2.15 Å)