1BIM

CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS

Summary for 1BIM

Related PRD IDPRD_000353
DescriptorRenin, (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide (2 entities in total)
Functional Keywordsaspartic proteinase, aspartyl protease, cleavage on pair of basic residues, disease mutation, disulfide bond, glycoprotein, hydrolase, membrane, protease, secreted, zymogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (human)
Total number of polymer chains2
Total molecular weight75245.02
Authors
Tong, L. (deposition date: 1995-09-27, release date: 1996-01-29, Last modification date: 2019-07-17)
Primary citation
Tong, L.,Pav, S.,Lamarre, D.,Simoneau, B.,Lavallee, P.,Jung, G.
Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors.
J.Biol.Chem., 270:29520-29524, 1995
PubMed: 7493993 (PDB entries with the same primary citation)
DOI: 10.1074/jbc.270.49.29520
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.8 Å)
?

Structure validation

ClashscoreRamachandran outliersSidechain outliers35 2.3% 24.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution