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2HRR

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

Functional Information from GO Data
ChainGOidnamespacecontents
A0004771molecular_functionsterol ester esterase activity
A0005737cellular_componentcytoplasm
A0005783cellular_componentendoplasmic reticulum
A0005788cellular_componentendoplasmic reticulum lumen
A0005811cellular_componentlipid droplet
A0005829cellular_componentcytosol
A0006629biological_processlipid metabolic process
A0006695biological_processcholesterol biosynthetic process
A0008203biological_processcholesterol metabolic process
A0009636biological_processresponse to toxic substance
A0010875biological_processpositive regulation of cholesterol efflux
A0010887biological_processnegative regulation of cholesterol storage
A0016042biological_processlipid catabolic process
A0030855biological_processepithelial cell differentiation
A0042632biological_processcholesterol homeostasis
A0043691biological_processreverse cholesterol transport
A0047374molecular_functionmethylumbelliferyl-acetate deacetylase activity
A0051791biological_processmedium-chain fatty acid metabolic process
A0052689molecular_functioncarboxylic ester hydrolase activity
A0070857biological_processregulation of bile acid biosynthetic process
A0071397biological_processcellular response to cholesterol
A0071404biological_processcellular response to low-density lipoprotein particle stimulus
A0090122biological_processcholesterol ester hydrolysis involved in cholesterol transport
A0090205biological_processpositive regulation of cholesterol metabolic process
A0106435molecular_functioncarboxylesterase activity
A0120188biological_processregulation of bile acid secretion
B0004771molecular_functionsterol ester esterase activity
B0005737cellular_componentcytoplasm
B0005783cellular_componentendoplasmic reticulum
B0005788cellular_componentendoplasmic reticulum lumen
B0005811cellular_componentlipid droplet
B0005829cellular_componentcytosol
B0006629biological_processlipid metabolic process
B0006695biological_processcholesterol biosynthetic process
B0008203biological_processcholesterol metabolic process
B0009636biological_processresponse to toxic substance
B0010875biological_processpositive regulation of cholesterol efflux
B0010887biological_processnegative regulation of cholesterol storage
B0016042biological_processlipid catabolic process
B0030855biological_processepithelial cell differentiation
B0042632biological_processcholesterol homeostasis
B0043691biological_processreverse cholesterol transport
B0047374molecular_functionmethylumbelliferyl-acetate deacetylase activity
B0051791biological_processmedium-chain fatty acid metabolic process
B0052689molecular_functioncarboxylic ester hydrolase activity
B0070857biological_processregulation of bile acid biosynthetic process
B0071397biological_processcellular response to cholesterol
B0071404biological_processcellular response to low-density lipoprotein particle stimulus
B0090122biological_processcholesterol ester hydrolysis involved in cholesterol transport
B0090205biological_processpositive regulation of cholesterol metabolic process
B0106435molecular_functioncarboxylesterase activity
B0120188biological_processregulation of bile acid secretion
C0004771molecular_functionsterol ester esterase activity
C0005737cellular_componentcytoplasm
C0005783cellular_componentendoplasmic reticulum
C0005788cellular_componentendoplasmic reticulum lumen
C0005811cellular_componentlipid droplet
C0005829cellular_componentcytosol
C0006629biological_processlipid metabolic process
C0006695biological_processcholesterol biosynthetic process
C0008203biological_processcholesterol metabolic process
C0009636biological_processresponse to toxic substance
C0010875biological_processpositive regulation of cholesterol efflux
C0010887biological_processnegative regulation of cholesterol storage
C0016042biological_processlipid catabolic process
C0030855biological_processepithelial cell differentiation
C0042632biological_processcholesterol homeostasis
C0043691biological_processreverse cholesterol transport
C0047374molecular_functionmethylumbelliferyl-acetate deacetylase activity
C0051791biological_processmedium-chain fatty acid metabolic process
C0052689molecular_functioncarboxylic ester hydrolase activity
C0070857biological_processregulation of bile acid biosynthetic process
C0071397biological_processcellular response to cholesterol
C0071404biological_processcellular response to low-density lipoprotein particle stimulus
C0090122biological_processcholesterol ester hydrolysis involved in cholesterol transport
C0090205biological_processpositive regulation of cholesterol metabolic process
C0106435molecular_functioncarboxylesterase activity
C0120188biological_processregulation of bile acid secretion
Functional Information from PROSITE/UniProt
site_idPS00122
Number of Residues16
DetailsCARBOXYLESTERASE_B_1 Carboxylesterases type-B serine active site. FGGnpgsVtIfGeSAG
ChainResidueDetails
APHE1208-GLY1223

site_idPS00941
Number of Residues11
DetailsCARBOXYLESTERASE_B_2 Carboxylesterases type-B signature 2. EDCLYLNIYtP
ChainResidueDetails
AGLU1114-PRO1124

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Acyl-ester intermediate => ECO:0000255|PROSITE-ProRule:PRU10039, ECO:0000269|PubMed:12022871
ChainResidueDetails
ASER1221
BSER2221
CSER3221

site_idSWS_FT_FI2
Number of Residues6
DetailsACT_SITE: Charge relay system => ECO:0000269|PubMed:12022871
ChainResidueDetails
AGLU1354
AGLY1469
BGLU2354
BGLY2469
CGLU3354
CGLY3469

site_idSWS_FT_FI3
Number of Residues3
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569
ChainResidueDetails
ALEU1381
BLEU2381
CLEU3381

site_idSWS_FT_FI4
Number of Residues3
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12022871
ChainResidueDetails
AASN1079
BASN2079
CASN3079

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1qe3
ChainResidueDetails
AGLU1354
ASER1221
AHIS1468

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1qe3
ChainResidueDetails
BSER2221
BGLU2354
BHIS2468

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1qe3
ChainResidueDetails
CSER3221
CGLU3354
CHIS3468

227561

PDB entries from 2024-11-20

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