3V66

HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid

Summary for 3V66

Related3Q30 3ASX 3Q2Z
DescriptorSqualene synthase, PHOSPHATE ION, (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, ... (4 entities in total)
Functional Keywordsterpenoid synthase fold, isoprene 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 weight39800.69
Authors
Suzuki, M.,Ohtsuka, M.,Ohki, H.,Haginoya, N.,Itoh, M.,Sugita, K.,Usui, H.,Ichikawa, M.,Higashihashi, N. (deposition date: 2011-12-18, release date: 2012-12-19)
Primary citation
Ichikawa, M.,Ohtsuka, M.,Ohki, H.,Haginoya, N.,Itoh, M.,Sugita, K.,Usui, H.,Suzuki, M.,Terayama, K.,Kanda, A.
Discovery of novel tricyclic compounds as squalene synthase inhibitors
Bioorg.Med.Chem., 20:3072-3093, 2012
PubMed: 22464687 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2012.02.054
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.8 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.185201.4%0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution