Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2HRQ

Crystal structure of Human Liver Carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Soman (GD)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004771	molecular_function	sterol esterase activity
A	0005737	cellular_component	cytoplasm
A	0005783	cellular_component	endoplasmic reticulum
A	0005788	cellular_component	endoplasmic reticulum lumen
A	0005811	cellular_component	lipid droplet
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006695	biological_process	cholesterol biosynthetic process
A	0008203	biological_process	cholesterol metabolic process
A	0009636	biological_process	response to toxic substance
A	0010875	biological_process	positive regulation of cholesterol efflux
A	0010887	biological_process	negative regulation of cholesterol storage
A	0016042	biological_process	lipid catabolic process
A	0030855	biological_process	epithelial cell differentiation
A	0042632	biological_process	cholesterol homeostasis
A	0043691	biological_process	reverse cholesterol transport
A	0047374	molecular_function	methylumbelliferyl-acetate deacetylase activity
A	0051791	biological_process	medium-chain fatty acid metabolic process
A	0052689	molecular_function	carboxylic ester hydrolase activity
A	0070857	biological_process	regulation of bile acid biosynthetic process
A	0071397	biological_process	cellular response to cholesterol
A	0071404	biological_process	cellular response to low-density lipoprotein particle stimulus
A	0090122	biological_process	cholesterol ester hydrolysis involved in cholesterol transport
A	0090205	biological_process	positive regulation of cholesterol metabolic process
A	0106435	molecular_function	carboxylesterase activity
A	0120188	biological_process	regulation of bile acid secretion
B	0004771	molecular_function	sterol esterase activity
B	0005737	cellular_component	cytoplasm
B	0005783	cellular_component	endoplasmic reticulum
B	0005788	cellular_component	endoplasmic reticulum lumen
B	0005811	cellular_component	lipid droplet
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006695	biological_process	cholesterol biosynthetic process
B	0008203	biological_process	cholesterol metabolic process
B	0009636	biological_process	response to toxic substance
B	0010875	biological_process	positive regulation of cholesterol efflux
B	0010887	biological_process	negative regulation of cholesterol storage
B	0016042	biological_process	lipid catabolic process
B	0030855	biological_process	epithelial cell differentiation
B	0042632	biological_process	cholesterol homeostasis
B	0043691	biological_process	reverse cholesterol transport
B	0047374	molecular_function	methylumbelliferyl-acetate deacetylase activity
B	0051791	biological_process	medium-chain fatty acid metabolic process
B	0052689	molecular_function	carboxylic ester hydrolase activity
B	0070857	biological_process	regulation of bile acid biosynthetic process
B	0071397	biological_process	cellular response to cholesterol
B	0071404	biological_process	cellular response to low-density lipoprotein particle stimulus
B	0090122	biological_process	cholesterol ester hydrolysis involved in cholesterol transport
B	0090205	biological_process	positive regulation of cholesterol metabolic process
B	0106435	molecular_function	carboxylesterase activity
B	0120188	biological_process	regulation of bile acid secretion
C	0004771	molecular_function	sterol esterase activity
C	0005737	cellular_component	cytoplasm
C	0005783	cellular_component	endoplasmic reticulum
C	0005788	cellular_component	endoplasmic reticulum lumen
C	0005811	cellular_component	lipid droplet
C	0005829	cellular_component	cytosol
C	0006629	biological_process	lipid metabolic process
C	0006695	biological_process	cholesterol biosynthetic process
C	0008203	biological_process	cholesterol metabolic process
C	0009636	biological_process	response to toxic substance
C	0010875	biological_process	positive regulation of cholesterol efflux
C	0010887	biological_process	negative regulation of cholesterol storage
C	0016042	biological_process	lipid catabolic process
C	0030855	biological_process	epithelial cell differentiation
C	0042632	biological_process	cholesterol homeostasis
C	0043691	biological_process	reverse cholesterol transport
C	0047374	molecular_function	methylumbelliferyl-acetate deacetylase activity
C	0051791	biological_process	medium-chain fatty acid metabolic process
C	0052689	molecular_function	carboxylic ester hydrolase activity
C	0070857	biological_process	regulation of bile acid biosynthetic process
C	0071397	biological_process	cellular response to cholesterol
C	0071404	biological_process	cellular response to low-density lipoprotein particle stimulus
C	0090122	biological_process	cholesterol ester hydrolysis involved in cholesterol transport
C	0090205	biological_process	positive regulation of cholesterol metabolic process
C	0106435	molecular_function	carboxylesterase activity
C	0120188	biological_process	regulation of bile acid secretion
D	0004771	molecular_function	sterol esterase activity
D	0005737	cellular_component	cytoplasm
D	0005783	cellular_component	endoplasmic reticulum
D	0005788	cellular_component	endoplasmic reticulum lumen
D	0005811	cellular_component	lipid droplet
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0006695	biological_process	cholesterol biosynthetic process
D	0008203	biological_process	cholesterol metabolic process
D	0009636	biological_process	response to toxic substance
D	0010875	biological_process	positive regulation of cholesterol efflux
D	0010887	biological_process	negative regulation of cholesterol storage
D	0016042	biological_process	lipid catabolic process
D	0030855	biological_process	epithelial cell differentiation
D	0042632	biological_process	cholesterol homeostasis
D	0043691	biological_process	reverse cholesterol transport
D	0047374	molecular_function	methylumbelliferyl-acetate deacetylase activity
D	0051791	biological_process	medium-chain fatty acid metabolic process
D	0052689	molecular_function	carboxylic ester hydrolase activity
D	0070857	biological_process	regulation of bile acid biosynthetic process
D	0071397	biological_process	cellular response to cholesterol
D	0071404	biological_process	cellular response to low-density lipoprotein particle stimulus
D	0090122	biological_process	cholesterol ester hydrolysis involved in cholesterol transport
D	0090205	biological_process	positive regulation of cholesterol metabolic process
D	0106435	molecular_function	carboxylesterase activity
D	0120188	biological_process	regulation of bile acid secretion
E	0004771	molecular_function	sterol esterase activity
E	0005737	cellular_component	cytoplasm
E	0005783	cellular_component	endoplasmic reticulum
E	0005788	cellular_component	endoplasmic reticulum lumen
E	0005811	cellular_component	lipid droplet
E	0005829	cellular_component	cytosol
E	0006629	biological_process	lipid metabolic process
E	0006695	biological_process	cholesterol biosynthetic process
E	0008203	biological_process	cholesterol metabolic process
E	0009636	biological_process	response to toxic substance
E	0010875	biological_process	positive regulation of cholesterol efflux
E	0010887	biological_process	negative regulation of cholesterol storage
E	0016042	biological_process	lipid catabolic process
E	0030855	biological_process	epithelial cell differentiation
E	0042632	biological_process	cholesterol homeostasis
E	0043691	biological_process	reverse cholesterol transport
E	0047374	molecular_function	methylumbelliferyl-acetate deacetylase activity
E	0051791	biological_process	medium-chain fatty acid metabolic process
E	0052689	molecular_function	carboxylic ester hydrolase activity
E	0070857	biological_process	regulation of bile acid biosynthetic process
E	0071397	biological_process	cellular response to cholesterol
E	0071404	biological_process	cellular response to low-density lipoprotein particle stimulus
E	0090122	biological_process	cholesterol ester hydrolysis involved in cholesterol transport
E	0090205	biological_process	positive regulation of cholesterol metabolic process
E	0106435	molecular_function	carboxylesterase activity
E	0120188	biological_process	regulation of bile acid secretion
F	0004771	molecular_function	sterol esterase activity
F	0005737	cellular_component	cytoplasm
F	0005783	cellular_component	endoplasmic reticulum
F	0005788	cellular_component	endoplasmic reticulum lumen
F	0005811	cellular_component	lipid droplet
F	0005829	cellular_component	cytosol
F	0006629	biological_process	lipid metabolic process
F	0006695	biological_process	cholesterol biosynthetic process
F	0008203	biological_process	cholesterol metabolic process
F	0009636	biological_process	response to toxic substance
F	0010875	biological_process	positive regulation of cholesterol efflux
F	0010887	biological_process	negative regulation of cholesterol storage
F	0016042	biological_process	lipid catabolic process
F	0030855	biological_process	epithelial cell differentiation
F	0042632	biological_process	cholesterol homeostasis
F	0043691	biological_process	reverse cholesterol transport
F	0047374	molecular_function	methylumbelliferyl-acetate deacetylase activity
F	0051791	biological_process	medium-chain fatty acid metabolic process
F	0052689	molecular_function	carboxylic ester hydrolase activity
F	0070857	biological_process	regulation of bile acid biosynthetic process
F	0071397	biological_process	cellular response to cholesterol
F	0071404	biological_process	cellular response to low-density lipoprotein particle stimulus
F	0090122	biological_process	cholesterol ester hydrolysis involved in cholesterol transport
F	0090205	biological_process	positive regulation of cholesterol metabolic process
F	0106435	molecular_function	carboxylesterase activity
F	0120188	biological_process	regulation of bile acid secretion

Functional Information from PROSITE/UniProt

site_id	PS00122
Number of Residues	16
Details	CARBOXYLESTERASE_B_1 Carboxylesterases type-B serine active site. FGGnpgsVtIfGeSAG

Chain	Residue	Details
A	PHE1208-GLY1223

site_id	PS00941
Number of Residues	11
Details	CARBOXYLESTERASE_B_2 Carboxylesterases type-B signature 2. EDCLYLNIYtP

Chain	Residue	Details
A	GLU1114-PRO1124

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: Acyl-ester intermediate => ECO:0000255\|PROSITE-ProRule:PRU10039, ECO:0000269\|PubMed:12022871

Chain	Residue	Details
A	SER1221
B	SER2221
C	SER3221
D	SER4221
E	SER5221
F	SER6221

site_id	SWS_FT_FI2
Number of Residues	12
Details	ACT_SITE: Charge relay system => ECO:0000269\|PubMed:12022871

Chain	Residue	Details
A	GLU1354
E	GLY5469
F	GLU6354
F	GLY6469
A	GLY1469
B	GLU2354
B	GLY2469
C	GLU3354
C	GLY3469
D	GLU4354
D	GLY4469
E	GLU5354

site_id	SWS_FT_FI3
Number of Residues	6
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:24275569

Chain	Residue	Details
A	LEU1381
B	LEU2381
C	LEU3381
D	LEU4381
E	LEU5381
F	LEU6381

site_id	SWS_FT_FI4
Number of Residues	6
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269\|PubMed:12022871

Chain	Residue	Details
A	ASN1079
B	ASN2079
C	ASN3079
D	ASN4079
E	ASN5079
F	ASN6079

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1qe3

Chain	Residue	Details
A	GLU1354
A	SER1221
A	HIS1468

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1qe3

Chain	Residue	Details
B	SER2221
B	GLU2354
B	HIS2468

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1qe3

Chain	Residue	Details
C	SER3221
C	GLU3354
C	HIS3468

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1qe3

Chain	Residue	Details
D	SER4221
D	GLU4354
D	HIS4468

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1qe3

Chain	Residue	Details
E	SER5221
E	GLU5354
E	HIS5468

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1qe3

Chain	Residue	Details
F	SER6221
F	GLU6354
F	HIS6468

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)