7G33

Crystal Structure of rat Autotaxin in complex with (3,5-dichlorophenyl)methyl 7-(3H-benzotriazole-5-carbonylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate, i.e. SMILES C12(C[C@@H](CO1)NC(=O)c1cc3c(cc1)N=NN3)CN(C2)C(=O)OCc1cc(cc(c1)Cl)Cl with IC50=0.00754101 microM

Summary for 7G33

• Entry DOI: 10.2210/pdb7g33/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, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... (9 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: 99662.69

Authors

Stihle, M.,Benz, J.,Hunziker, D.,Plancher, J.,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 (1.6 Å)