5V8V

Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol

Summary for 5V8V

• Entry DOI: 10.2210/pdb5v8v/pdb
• Descriptor: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, methyl [(4S)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3R)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate, ... (4 entities in total)
• Functional Keywords: renin inhibitor, biphenyl, hypertension, cyp 3a4, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Secreted: P00797
• Total number of polymer chains: 2
• Total formula weight: 76432.29

Authors

Concha, N.,Zhao, B. (deposition date: 2017-03-22, release date: 2017-10-18, Last modification date: 2023-10-04)

• Primary citation: Lawhorn, B.G.,Tran, T.,Hong, V.S.,Morgan, L.A.,Le, B.T.,Harpel, M.R.,Jolivette, L.,Diaz, E.,Schwartz, B.,Gross, J.W.,Tomaszek, T.,Semus, S.,Concha, N.,Smallwood, A.,Holt, D.A.,Kallander, L.S.; Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition.; Bioorg. Med. Chem. Lett., 27:4838-4843, 2017; PubMed: 28985999; DOI: 10.1016/j.bmcl.2017.09.046

Experimental method

X-RAY DIFFRACTION (2.6 Å)