3K9B

Crystal structure of human liver carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Cyclosarin (GF)

Summary for 3K9B

Entry DOI	10.2210/pdb3k9b/pdb
Descriptor	Liver carboxylesterase 1, cyclohexyl (S)-methylphosphonofluoridoate (3 entities in total)
Functional Keywords	hydrolase, organophosphorus nerve agent, alternative splicing, disulfide bond, endoplasmic reticulum, glycoprotein, polymorphism, serine esterase
Biological source	Homo sapiens (human)
Cellular location	Endoplasmic reticulum lumen: P23141
Total number of polymer chains	3
Total formula weight	175743.34
Authors	Hemmert, A.C.,Redinbo, M.R. (deposition date: 2009-10-15, release date: 2010-01-19, Last modification date: 2023-09-06)
Primary citation	Hemmert, A.C.,Otto, T.C.,Wierdl, M.,Edwards, C.C.,Fleming, C.D.,MacDonald, M.,Cashman, J.R.,Potter, P.M.,Cerasoli, D.M.,Redinbo, M.R. Human carboxylesterase 1 stereoselectively binds the nerve agent cyclosarin and spontaneously hydrolyzes the nerve agent sarin. Mol.Pharmacol., 77:508-516, 2010 Cited by PubMed: 20051531 DOI: 10.1124/mol.109.062356 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.1 Å)

Structure validation