Structure of PDB 1mx1 Chain B

Receptor sequence
>1mx1B (length=531) Species: 9606 (Homo sapiens) [Search protein sequence]
SPPVVDTVHGKVLGKFVSLEGFAQPVAIFLGIPFAKPPLGPLRFTPPQPA
EPWSFVKNATSYPPMCTQDPKAGQLLSELFTNRKENIPLKLSEDCLYLNI
YTPADLTKKNRLPVMVWIHGGGLMVGAASTYDGLALAAHENVVVVTIQYR
LGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIASFGGNPGSVTIFGES
AGGESVSVLVLSPLAKNLFHRAISESGVALTSVLVKKGDVKPLAEQIAIT
AGCKTTTSAVMVHCLRQKTEEELLETTLKMKFLSLDLQGDPRESQPLLGT
VIDGMLLLKTPEELQAERNFHTVPYMVGINKQEFGWLIPMLMSYPLSEGQ
LDQKTAMSLLWKSYPLVCIAKELIPEATEKYLGGTDDTVKKKDLFLDLIA
DVMFGVPSVIVARNHRDAGAPTYMYEFQYRPSFSSDMKPKTVIGDHGDEL
FSVFGAPFLKEGASEEEIRLSKMVMKFWANFARNGNPNGEGLPHWPEYNQ
KEGYLQIGANTQAAQKLKDKEVAFWTNLFAK
3D structure
PDB1mx1 Crystal Structure of Human Carboxylesterase 1 Complexed with the Alzheimer's Drug Tacrine: From Binding Promiscuity to Selective Inhibition
ChainB
Resolution2.4 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G2142 G2143 S2221 A2222 E2354 H2468
Catalytic site (residue number reindexed from 1) G121 G122 S200 A201 E333 H446
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 SIA B K2262 T2278 K241 T257
BS02 SIA B L2051 G2052 K2078 N2079 A2080 T2081 S2082 P2084 Y2118 L30 G31 K57 N58 A59 T60 S61 P63 Y97
BS03 THA B S2221 L2304 L2363 S200 L283 L341 BindingDB: IC50=>100000nM,Ki=>100000nM
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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Biological Process
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Cellular Component
External links
PDB RCSB:1mx1, PDBe:1mx1, PDBj:1mx1
PDBsum1mx1
PubMed12725862
UniProtP23141|EST1_HUMAN Liver carboxylesterase 1 (Gene Name=CES1)

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