3VUC

Human renin in complex with compound 5

Summary for 3VUC

• Entry DOI: 10.2210/pdb3vuc/pdb
• Related: 3VSX
• Descriptor: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, ... (4 entities in total)
• Functional Keywords: aspartyl protease, ras, hypertension, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 76098.74

Authors

Takahashi, M.,Matsui, Y.,Hanzawa, H. (deposition date: 2012-06-26, release date: 2013-05-15, Last modification date: 2023-11-08)

• Primary citation: Nakamura, Y.,Fujimoto, T.,Ogawa, Y.,Sugita, C.,Miyazaki, S.,Tamaki, K.,Takahashi, M.,Matsui, Y.,Nagayama, T.,Manabe, K.,Mizuno, M.,Masubuchi, N.,Chiba, K.,Nishi, T.; Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor.; Acs Med.Chem.Lett., 3:754-758, 2012; PubMed: 24900544; DOI: 10.1021/ml300168e

Experimental method

X-RAY DIFFRACTION (2.6 Å)