7G5B

Crystal Structure of rat Autotaxin in complex with N-[5-[2-(4-fluorophenyl)ethynyl]pyridin-2-yl]acetamide, i.e. SMILES C(#Cc1ccc(F)cc1)c1cnc(NC(=O)C)cc1 with IC50=1.56678 microM

Summary for 7G5B

• Entry DOI: 10.2210/pdb7g5b/pdb
• Group deposition: To be published (G_1002267)
• Descriptor: Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamide, ... (8 entities in total)
• Functional Keywords: hydrolase, lysophosphatidic acid, lpa, lysophosphatidylcholine, lpc, somatomedin, metastasis, neuropathic pain, vascular development, neural development
• Biological source: Rattus norvegicus (Norway rat)
• Total number of polymer chains: 1
• Total formula weight: 99086.18

Authors

Stihle, M.,Benz, J.,Hunziker, D.,Stadler, H.,Rudolph, M.G. (deposition date: 2023-06-05, release date: 2024-12-18)

• Primary citation: Hunziker, D.,Joachim, S.C.,Ullmer, C.,Rudolph, M.G.; Crystal Structure of a rat Autotaxin complex; To be published,

Experimental method

X-RAY DIFFRACTION (1.9 Å)