Structure of PDB 1lfo Chain A Binding Site BS02

Receptor Information
>1lfo Chain A (length=127) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNFSGKYQVQSQENFEPFMKAMGLPEDLIQKGKDIKGVSEIVHEGKKVKL
TITYGSKVIHNEFTLGEECELETMTGEKVKAVVKMEGDNKMVTTFKGIKS
VTEFNGDTITNTMTLGDIVYKRVSKRI
Ligand information
Ligand IDOLA
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKeyZQPPMHVWECSIRJ-KTKRTIGZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(O)=O
CACTVS 3.341CCCCCCCC\C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C/CCCCCCCC(=O)O
FormulaC18 H34 O2
NameOLEIC ACID
ChEMBLCHEMBL8659
DrugBank
ZINCZINC000006845860
PDB chain1lfo Chain A Residue 129 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lfo The crystal structure of the liver fatty acid-binding protein. A complex with two bound oleates.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S39 M74 T102
Binding residue
(residue number reindexed from 1)		S39 M74 T102
Annotation score1
Binding affinityMOAD: Kd~2uM
PDBbind-CN: -logKd/Ki=6.70,Kd~0.2uM
BindingDB: Ki=2900nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0005504 fatty acid binding
GO:0005515 protein binding
GO:0005543 phospholipid binding
GO:0008289 lipid binding
GO:0016209 antioxidant activity
GO:0032052 bile acid binding
GO:0051978 lysophospholipid:sodium symporter activity
GO:0070538 oleic acid binding
GO:1901363 heterocyclic compound binding
Biological Process
GO:0015908 fatty acid transport
GO:0015909 long-chain fatty acid transport
GO:0032000 positive regulation of fatty acid beta-oxidation
GO:0033552 response to vitamin B3
GO:0043066 negative regulation of apoptotic process
GO:0043154 negative regulation of cysteine-type endopeptidase activity involved in apoptotic process
GO:0050892 intestinal absorption
GO:0051977 lysophospholipid transport
GO:0070301 cellular response to hydrogen peroxide
GO:0071456 cellular response to hypoxia
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005782 peroxisomal matrix
GO:0005829 cytosol
GO:0032991 protein-containing complex
GO:0045179 apical cortex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1lfo, PDBe:1lfo, PDBj:1lfo
PDBsum1lfo
PubMed9054409
UniProtP02692|FABPL_RAT Fatty acid-binding protein, liver (Gene Name=Fabp1)

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