3ASX

Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid

Summary for 3ASX

Related3Q2Z 3Q30
DescriptorSqualene synthase, PHOSPHATE ION, (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid, ... (4 entities in total)
Functional Keywordsisoprene biosynthesis, lipid synthesis, multifunctional enzyme, oxidoreductase, steroid biosynthesis, sterol biosynthesis, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationEndoplasmic reticulum membrane; Multi-pass membrane protein P37268
Total number of polymer chains1
Total molecular weight39811.16
Authors
Shimizu, H.,Suzuki, M.,Katakura, S.,Yamazaki, K.,Higashihashi, N.,Ichikawa, M.,Yokomizo, A.,Itoh, M.,Sugita, K.,Usui, H. (deposition date: 2010-12-22, release date: 2011-12-21, Last modification date: 2017-10-11)
Primary citation
Ichikawa, M.,Yokomizo, A.,Itoh, M.,Sugita, K.,Usui, H.,Shimizu, H.,Suzuki, M.,Terayama, K.,Kanda, A.
Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19:1930-1949, 2011
PubMed: 21353782 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2011.01.065
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22560.3%3.0%7.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution