Structure of PDB 3f5o Chain F Binding Site BS02

Receptor Information
>3f5o Chain F (length=138) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNA
IGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIV
ITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLG
Ligand information
Ligand IDUOC
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
InChIKeyKYWIYKKSMDLRDC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(CCCCCCCCC)C
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)C
CACTVS 3.341CCCCCCCCCC(C)=O
FormulaC11 H22 O
Nameundecan-2-one
ChEMBLCHEMBL1236582
DrugBankDB08688
ZINCZINC000001529305
PDB chain3f5o Chain F Residue 149 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3f5o The mechanisms of human hotdog-fold thioesterase 2 (hTHEM2) substrate recognition and catalysis illuminated by a structure and function based analysis
Resolution1.7 Å
Binding residue
(original residue number in PDB)		P80 G81 K136
Binding residue
(residue number reindexed from 1)		P79 G80 K135
Annotation score2
Enzymatic activity
Enzyme Commision number 3.1.2.-
3.1.2.2: palmitoyl-CoA hydrolase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047617 fatty acyl-CoA hydrolase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0051289 protein homotetramerization
GO:0120163 negative regulation of cold-induced thermogenesis
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005819 spindle
GO:0005829 cytosol
GO:0005856 cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3f5o, PDBe:3f5o, PDBj:3f5o
PDBsum3f5o
PubMed19170545
UniProtQ9NPJ3|ACO13_HUMAN Acyl-coenzyme A thioesterase 13 (Gene Name=ACOT13)

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