3VYD

Human renin in complex with inhibitor 6

Summary for 3VYD

Related3VYE 3VYF
DescriptorRenin, N-ACETYL-D-GLUCOSAMINE, (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, ... (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 weight75874.49
Authors
Takahashi, M.,Hanzawa, H. (deposition date: 2012-09-24, release date: 2012-12-19)
Primary citation
Mori, Y.,Ogawa, Y.,Mochizuki, A.,Nakamura, Y.,Sugita, C.,Miyazaki, S.,Tamaki, K.,Matsui, Y.,Takahashi, M.,Nagayama, T.,Nagai, Y.,Inoue, S.,Nishi, T.
Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22:7677-7682, 2012
PubMed: 23122821 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2012.09.103
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.81 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.282181.4%6.8%1.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution