4P38

Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329

Summary for 4P38

DescriptorCorticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, ... (5 entities in total)
Functional Keywordsalpha beta, rossmann fold, nadp, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationEndoplasmic reticulum membrane ; Single-pass type II membrane protein  P28845
Total number of polymer chains2
Total molecular weight60838.64
Authors
Ogg, D.,Hargreaves, D.,Gerhardt, S. (deposition date: 2014-03-06, release date: 2014-04-30, Last modification date: 2017-11-01)
Primary citation
Scott, J.S.,deSchoolmeester, J.,Kilgour, E.,Mayers, R.M.,Packer, M.J.,Hargreaves, D.,Gerhardt, S.,Ogg, D.J.,Rees, A.,Selmi, N.,Stocker, A.,Swales, J.G.,Whittamore, P.R.
Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329).
J.Med.Chem., 55:10136-10147, 2012
PubMed: 23088558 (PDB entries with the same primary citation)
DOI: 10.1021/jm301252n
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.8 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.26160 6.6% 2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-09-23