Structure of PDB 2lkk Chain A Binding Site BS02

Receptor Information
>2lkk Chain A (length=126) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFSGKYQLQSQENFEAFMKAIGLPEELIQKGKDIKGVSEIVQNGKHFKFT
ITAGSKVIQNEFTVGEECELETMTGEKVKTVVQLEGDNKLVTTFKNIKSV
TELNGDIITNTMTLGDIVFKRISKRI
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 chain2lkk 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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PDB2lkk Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited.
ResolutionN/A
Binding residue
(original residue number in PDB)		S39 F50 E72 F95 N111 M113 R122 S124
Binding residue
(residue number reindexed from 1)		S38 F49 E71 F94 N110 M112 R121 S123
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.70,Kd=0.2uM
BindingDB: Kd=900nM
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: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: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
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2lkk, PDBe:2lkk, PDBj:2lkk
PDBsum2lkk
PubMed22713574
UniProtP07148|FABPL_HUMAN Fatty acid-binding protein, liver (Gene Name=FABP1)

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