2BKS

crystal structure of Renin-PF00074777 complex

Summary for 2BKS

Related1AO5 1BBS 1BIL 1BIM 1E80 1E81 1E82 1EED 1HRN 1MPP 1PR7 1PR8 1QZ9 1RNE 1SMR 1UHQ 1W7L 1W7M 1W7N 2BKT 2PHV 2REN
DescriptorRENIN, (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE (3 entities in total)
Functional Keywordshydrolase, aspartic proteinase, aspartyl protease, glycoprotein, plasma, zymogen, polymorphism
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationSecreted P00797
Total number of polymer chains2
Total molecular weight75121.72
Authors
Powell, N.A.,Clay, E.H.,Holsworth, D.D.,Edmunds, J.J.,Bryant, J.W.,Ryan, J.M.,Jalaie, M.,Zhang, E. (deposition date: 2005-02-18, release date: 2006-04-05, Last modification date: 2011-07-13)
Primary citation
Powell, N.A.,Clay, E.H.,Holsworth, D.D.,Bryant, J.W.,Ryan, J.M.,Jalaie, M.,Zhang, E.,Edmunds, J.J.
Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15:2371-, 2005
PubMed: 15837327 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMCL.2005.02.085
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.2 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers200.6%5.2%3.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report