Crystal Structure of Human Liver Carboxylesterase complexed to Etyl Acetate; A Fatty Acid Ethyl Ester Analogue

Summary for 1YAH

Related1MX1 1MX5 1MX9 1ya4 1ya8 1yaj
DescriptorCES1 protein, N-ACETYL-D-GLUCOSAMINE, O-SIALIC ACID, ... (6 entities in total)
Functional Keywordshydrolase, carboxylesterase, ethyl acetate, fatty acid acyl ester
Biological sourceHomo sapiens (human)
Cellular locationEndoplasmic reticulum lumen P23141
Total number of polymer chains3
Total molecular weight178713.12
Fleming, C.D.,Bencahrit, S.,Edwards, C.C.,Hyatt, J.L.,Morton, C.L.,Howard-Williams, E.L.,Potter, P.M.,Redinbo, M.R. (deposition date: 2004-12-17, release date: 2005-08-02, Last modification date: 2011-07-13)
Primary citation
Fleming, C.D.,Bencharit, S.,Edwards, C.C.,Hyatt, J.L.,Tsurkan, L.,Bai, F.,Fraga, C.,Morton, C.L.,Howard-Williams, E.L.,Potter, P.M.,Redinbo, M.R.
Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil.
J.Mol.Biol., 352:165-177, 2005
PubMed: 16081098 (PDB entries with the same primary citation)
DOI: 10.1016/j.jmb.2005.07.016
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.222140.6%2.2%0.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report