Brand  (β version)

PDB ID: 1YA4

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Ligands
Code Name Style Show Link
CTX (z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-N,N-dimethylethanamine PoSSuM
SO4 Sulfate ion PoSSuM
SIA N-acetyl-alpha-neuraminic acid PoSSuM
Non-standard Residues
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Glycosylation
Code Name Emphasize
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
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Structure summary

Code : 1YA4   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen
Release Data : 2005-08-02
Compound :
mol_id molecule chains
1 CES1 protein A,B,C
ec: 3.1.1.1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
expression_system_common: Fall armyworm
expression_system_strain: Sf9
expression_system_vector_type: baculovirus
Authors : Fleming, C.D., Bencharit, S., Edwards, C.C., Hyatt, J.L., Morton, C.L., Howard-Williams, E.L., Potter, P.M., Redinbo, M.R.
Keywords : Hydrolase Domain, Tamoxifen Complex, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 3.20 Å )
Citation :

Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil.

Fleming, C.D.,Bencharit, S.,Edwards, C.C.  et al.
(2005)  J.Mol.Biol.  352 : 165 - 177

PubMed: 16081098
DOI: 10.1016/j.jmb.2005.07.016

Reaction

Chain : A, B, C
UniProt : P23141 (EST1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a carboxylic ester + H2O = a carboxylate + an alcohol + H(+) 3.1.1.1 PROSITE-ProRule:PRU10039, PubMed:7980644, PubMed:9169443, PubMed:9490062
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4-methylumbelliferyl acetate + H2O = 4-methylumbelliferone + acetate + H(+) 3.1.1.56 PubMed:18762277, PubMed:9169443
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a cholesterol ester + H2O = a fatty acid + cholesterol + H(+) 3.1.1.13 PubMed:11015575, PubMed:16024911, PubMed:16971496, PubMed:18762277
left-to-right PubMed:18762277
cholesteryl (9Z-octadecenoate) + H2O = (9Z)-octadecenoate + cholesterol + H(+) - PubMed:11015575, PubMed:16024911, PubMed:16971496, PubMed:18762277
left-to-right PubMed:11015575
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol + H2O = (5Z,8Z,11Z,14Z)-eicosatetraenoate + glycerol + H(+) - PubMed:21049984
left-to-right
H2O + prostaglandin E2 1-glyceryl ester = glycerol + H(+) + prostaglandin E2 - PubMed:21049984
left-to-right
H2O + prostaglandin F2alpha 1-glyceryl ester = glycerol + H(+) + prostaglandin F2alpha - PubMed:21049984
left-to-right