Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor

Summary for 3HFG

DescriptorCorticosteroid 11-beta-dehydrogenase isozyme 1, (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (4 entities in total)
Functional Keywordsoxidoreductase, hsd1, nadp, inhibitor, endoplasmic reticulum, glycoprotein, lipid metabolism, membrane, polymorphism, signal-anchor, steroid metabolism, transmembrane
Biological sourceHomo sapiens (human)
Cellular locationEndoplasmic reticulum membrane ; Single-pass type II membrane protein  P28845
Total number of polymer chains4
Total molecular weight132198.94
Bard, J.,Svenson, K. (deposition date: 2009-05-11, release date: 2009-09-29, Last modification date: 2017-11-01)
Primary citation
Wan, Z.K.,Chenail, E.,Xiang, J.,Li, H.Q.,Ipek, M.,Bard, J.,Svenson, K.,Mansour, T.S.,Xu, X.,Tian, X.,Suri, V.,Hahm, S.,Xing, Y.,Johnson, C.E.,Li, X.,Qadri, A.,Panza, D.,Perreault, M.,Tobin, J.F.,Saiah, E.
Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52:5449-5461, 2009
PubMed: 19673466 (PDB entries with the same primary citation)
DOI: 10.1021/jm900639u
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.286121.0%2.5%4.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution