1MX9

Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d1mx9a_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d1mx9b_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d1mx9c_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d1mx9d_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
E	d1mx9e_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
F	d1mx9f_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
G	d1mx9g_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
H	d1mx9h_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
I	d1mx9i_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
J	d1mx9j_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
K	d1mx9k_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
L	d1mx9l_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Mammalian carboxylesterase (liver carboxylesterase I)	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
G	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
H	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
I	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
J	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
K	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)
L	SCOP2B Superfamily	alpha/beta-Hydrolases	8042176	3000102	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	COesterase	e1mx9A1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
B	COesterase	e1mx9B1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
C	COesterase	e1mx9C1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
D	COesterase	e1mx9D1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
E	COesterase	e1mx9E1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
F	COesterase	e1mx9F1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
G	COesterase	e1mx9G1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
H	COesterase	e1mx9H1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
I	COesterase	e1mx9I1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
J	COesterase	e1mx9J1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
K	COesterase	e1mx9K1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
L	COesterase	e1mx9L1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
B	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
C	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
D	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
E	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
F	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
G	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
H	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
I	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
J	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
K	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
L	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	PF00135	Carboxylesterase family (COesterase)	Carboxylesterase family	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	liver Carboxylesterase I	deacetylase activity hydrolase activity, acting on ester bonds carboxylic ester hydrolase activity methylumbelliferyl-acetate deacetylase activity hydrolase activity catalytic activity sterol ester esterase activity lipase activity carboxylesterase activity	positive regulation of cholesterol efflux regulation of localization transport positive regulation of sterol transport positive regulation of biological process regulation of lipid transport organic hydroxy compound transport localization regulation of cholesterol efflux sterol transport regulation of cholesterol transport positive regulation of cholesterol transport regulation of sterol transport regulation of biological process positive regulation of cholesterol efflux regulation of localization transport positive regulation of sterol transport positive regulation of biological process regulation of lipid transport organic hydroxy compound transport localization regulation of cholesterol efflux sterol transport regulation of cholesterol transport positive regulation of cholesterol transport regulation of sterol transport regulation of biological process regulation of transport biological regulation lipid localization lipid transport positive regulation of lipid localization establishment of localization positive regulation of lipid transport positive regulation of transport regulation of lipid localization macromolecule localization cholesterol transport cholesterol efflux bile acid secretion organic anion transport carboxylic acid transport secretion acid secretion regulation of secretion organic acid transport monocarboxylic acid transport regulation of bile acid secretion regulation of organic acid transport cellular response to stimulus response to sterol response to stimulus response to lipid response to alcohol cellular response to organic cyclic compound response to oxygen-containing compound response to cholesterol cellular response to oxygen-containing compound cellular response to chemical stimulus cellular response to alcohol response to chemical cellular response to lipid cellular process cellular response to sterol cellular response to cholesterol response to organic cyclic compound reverse cholesterol transport cholesterol storage negative regulation of cholesterol storage lipid storage negative regulation of biological process negative regulation of lipid localization maintenance of location regulation of lipid storage negative regulation of lipid storage regulation of cholesterol storage regulation of cholesterol metabolic process organic hydroxy compound metabolic process sterol metabolic process steroid metabolic process regulation of lipid metabolic process cholesterol metabolic process alcohol metabolic process regulation of primary metabolic process positive regulation of metabolic process regulation of small molecule metabolic process positive regulation of lipid metabolic process small molecule metabolic process regulation of steroid metabolic process primary metabolic process secondary alcohol metabolic process positive regulation of cholesterol metabolic process positive regulation of steroid metabolic process metabolic process positive regulation of small molecule metabolic process regulation of metabolic process lipid metabolic process developmental process epithelium development cellular developmental process cell differentiation anatomical structure development tissue development epithelial cell differentiation sterol homeostasis chemical homeostasis homeostatic process cholesterol homeostasis lipid homeostasis response to toxic substance fatty acid metabolic process oxoacid metabolic process cellular metabolic process carboxylic acid metabolic process organic acid metabolic process cellular lipid metabolic process monocarboxylic acid metabolic process medium-chain fatty acid metabolic process secondary alcohol biosynthetic process small molecule biosynthetic process cholesterol biosynthetic process lipid biosynthetic process biosynthetic process sterol biosynthetic process organic hydroxy compound biosynthetic process alcohol biosynthetic process steroid biosynthetic process cellular localization intracellular cholesterol transport vesicle-mediated cholesterol transport intracellular sterol transport vesicle-mediated transport cholesterol ester hydrolysis involved in cholesterol transport establishment of localization in cell intracellular lipid transport intracellular transport cytosolic transport lipid catabolic process catabolic process cellular response to low-density lipoprotein particle stimulus response to endogenous stimulus response to lipoprotein particle response to nitrogen compound cellular response to lipoprotein particle stimulus regulation of steroid biosynthetic process regulation of cellular process cellular biosynthetic process organic acid biosynthetic process regulation of bile acid metabolic process carboxylic acid biosynthetic process cellular ketone metabolic process regulation of biosynthetic process regulation of cellular ketone metabolic process bile acid biosynthetic process monocarboxylic acid biosynthetic process regulation of bile acid biosynthetic process regulation of cellular metabolic process regulation of cellular biosynthetic process bile acid metabolic process regulation of lipid biosynthetic process	intracellular anatomical structure cytoplasm cellular anatomical entity cytosol membrane-bounded organelle membrane-enclosed lumen intracellular membrane-bounded organelle endomembrane system intracellular organelle lumen endoplasmic reticulum lumen intracellular organelle organelle lumen organelle endoplasmic reticulum intracellular anatomical structure cytoplasm cellular anatomical entity cytosol membrane-bounded organelle membrane-enclosed lumen intracellular membrane-bounded organelle endomembrane system intracellular organelle lumen endoplasmic reticulum lumen intracellular organelle organelle lumen organelle endoplasmic reticulum lipid droplet intracellular non-membrane-bounded organelle non-membrane-bounded organelle

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	IPR050309	Type-B Carboxylesterase/Lipase	Family
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	IPR002018	Carboxylesterase, type B	Domain
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	IPR019819	Carboxylesterase type B, conserved site	Conserved Site
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	IPR019826	Carboxylesterase type B, active site	Active Site
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	IPR029058	Alpha/Beta hydrolase fold	Homologous Superfamily

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D, E A, B, C, D, E, F, G, H, I, J, K, L	Pharos: P23141	opioid abuse inborn errors of metabolism cocaine abuse cocaine dependence Hypercholesterolemia obesity disorder peripheral neuropathy lung benign neoplasm psoriasis echinococcosis lung carcinoma non-small cell lung carcinoma opiate dependence peripheral nervous system disease brain injury opioid abuse inborn errors of metabolism cocaine abuse cocaine dependence Hypercholesterolemia obesity disorder peripheral neuropathy lung benign neoplasm psoriasis echinococcosis lung carcinoma non-small cell lung carcinoma opiate dependence peripheral nervous system disease brain injury lung adenocarcinoma

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.