3VSW

Human renin in complex with compound 8

Summary for 3VSW

Related3VSX
DescriptorRenin, N-ACETYL-D-GLUCOSAMINE, (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide (3 entities in total)
Functional Keywordsras, hypertension, inhibitor, aspartyl protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationSecreted P00797
Total number of polymer chains2
Total molecular weight76075.84
Authors
Takahashi, M.,Hanzawa, H. (deposition date: 2012-05-11, release date: 2012-07-25, Last modification date: 2017-11-22)
Primary citation
Nakamura, Y.,Sugita, C.,Meguro, M.,Miyazaki, S.,Tamaki, K.,Takahashi, M.,Nagai, Y.,Nagayama, T.,Kato, M.,Suemune, H.,Nishi, T.
Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22:4561-4566, 2012
PubMed: 22726934 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2012.05.092
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.304241.5%6.2%1.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution