7G5K

Crystal Structure of rat Autotaxin in complex with 3-(2,6-dichlorophenyl)-7-[(2-hydroxy-2-phenylethyl)amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one, i.e. SMILES N1(c2c(cccc2Cl)Cl)Cc2c(N(C1=O)C)nc(nc2)NC[C@@H](c1ccccc1)O with IC50=0.0487403 microM

Summary for 7G5K

• Entry DOI: 10.2210/pdb7g5k/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-(1-2)-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, 3-(2,6-dichlorophenyl)-7-{[(2R)-2-hydroxy-2-phenylethyl]amino}-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, ... (10 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: 99565.02

Authors

Stihle, M.,Benz, J.,Hunziker, D.,Harris, W.,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 (1.88 Å)