Human renin in complex with compound 18

Summary for 3VSX

DescriptorRenin, N-ACETYL-D-GLUCOSAMINE, (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-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 weight76024.62
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

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.295272.1%7.4%3.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3vsx
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Molmil generated image of 3vsx
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Molmil generated image of 3vsx
rotated about y axis by 90°