3VUC

Human renin in complex with compound 5

Summary for 3VUC

Related3VSX
DescriptorRenin, N-ACETYL-D-GLUCOSAMINE, (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 Keywordsaspartyl protease, ras, hypertension, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationSecreted P00797
Total number of polymer chains2
Total molecular weight76098.74
Authors
Takahashi, M.,Matsui, Y.,Hanzawa, H. (deposition date: 2012-06-26, release date: 2013-05-15, Last modification date: 2017-11-22)
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
DOI: 10.1021/ml300168e
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.6 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.240605.0%2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution