Structure of PDB 3k9b Chain A

Receptor sequence
>3k9bA (length=485) Species: 9606 (Homo sapiens) [Search protein sequence]
PVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPAEP
WSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNIYT
PADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYRLG
IWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGESAG
GESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAITAG
CKTTTSAVMVHCLRQKTEEELLETTLKMKFLGTVIDGMLLLKTPEELQAE
RTVPYMVGINKQEFGWLIPMLMSYPLQKTAMSLLWKSYPLVCIAKELIPE
ATEKYLGVKKKDLFLDLIADVMFGVPSVIVARNHRDAGAPTYMYEFFSSD
MKPKTVIGDHGDELFSVFGAPFLKEIRLSKMVMKFWANFARNGNPNGEGL
PHWPEYNQKEGYLQIGANTQAAQKLKDKEVAFWTN
3D structure
PDB3k9b Human carboxylesterase 1 stereoselectively binds the nerve agent cyclosarin and spontaneously hydrolyzes the nerve agent sarin.
ChainA
Resolution3.1 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G1142 G1143 S1221 A1222 E1354 H1468
Catalytic site (residue number reindexed from 1) G119 G120 S198 A199 E313 H410
Enzyme Commision number 3.1.1.1: carboxylesterase.
3.1.1.13: sterol esterase.
3.1.1.56: methylumbelliferyl-acetate deacetylase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 WW2 A G1141 G1142 G1143 S1221 A1222 L1363 G118 G119 G120 S198 A199 L321
Gene Ontology
Molecular Function
GO:0004771 sterol ester esterase activity
GO:0047374 methylumbelliferyl-acetate deacetylase activity
GO:0052689 carboxylic ester hydrolase activity
GO:0106435 carboxylesterase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0006695 cholesterol biosynthetic process
GO:0008203 cholesterol metabolic process
GO:0009636 response to toxic substance
GO:0010875 positive regulation of cholesterol efflux
GO:0010887 negative regulation of cholesterol storage
GO:0016042 lipid catabolic process
GO:0030855 epithelial cell differentiation
GO:0042632 cholesterol homeostasis
GO:0043691 reverse cholesterol transport
GO:0051791 medium-chain fatty acid metabolic process
GO:0070857 regulation of bile acid biosynthetic process
GO:0071397 cellular response to cholesterol
GO:0071404 cellular response to low-density lipoprotein particle stimulus
GO:0090122 cholesterol ester hydrolysis involved in cholesterol transport
GO:0090205 positive regulation of cholesterol metabolic process
GO:0120188 regulation of bile acid secretion
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005788 endoplasmic reticulum lumen
GO:0005811 lipid droplet
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3k9b, PDBe:3k9b, PDBj:3k9b
PDBsum3k9b
PubMed20051531
UniProtP23141|EST1_HUMAN Liver carboxylesterase 1 (Gene Name=CES1)

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