7G7O

Crystal Structure of rat Autotaxin in complex with 3-methyl-5-[rac-(3aR,8aS)-6-[2-cyclopropyl-6-(oxan-4-ylmethoxy)pyridine-4-carbonyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carbonyl]-1H-benzimidazol-2-one, i.e. SMILES C1C[C@@H]2[C@H](CCN1C(=O)c1cc(nc(c1)OCC1CCOCC1)C1CC1)CN(C2)C(=O)c1ccc2c(c1)N(C(=O)N2)C with IC50=0.00527031 microM

7G7O の概要

• エントリーDOI: 10.2210/pdb7g7o/pdb
• Group deposition: To be published (G_1002267)
• 分子名称: 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, CHLORIDE ION, ... (10 entities in total)
• 機能のキーワード: hydrolase, lysophosphatidic acid, lpa, lysophosphatidylcholine, lpc, somatomedin, metastasis, neuropathic pain, vascular development, neural development
• 由来する生物種: Rattus norvegicus (Norway rat)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 99616.38

構造登録者

Stihle, M.,Benz, J.,Hunziker, D.,Mattei, P.,Rudolph, M.G. (登録日: 2023-06-05, 公開日: 2024-12-18)

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

実験手法

X-RAY DIFFRACTION (1.98 Å)