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Structure of PDB 4lkt Chain C Binding Site BS01

Receptor Information
>4lkt Chain C (length=136) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDG
KNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQE
WDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE
Ligand information
Ligand IDEIC
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
InChIKeyOYHQOLUKZRVURQ-HZJYTTRNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCC=CCC=CCCCCCCCC(O)=O
CACTVS 3.341CCCCC/C=C\C\C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCC\C=C/C\C=C/CCCCC
FormulaC18 H32 O2
NameLINOLEIC ACID;
9,12-LINOLEIC ACID
ChEMBLCHEMBL267476
DrugBankDB14104
ZINCZINC000004474613
PDB chain4lkt Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4lkt Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta / delta (FABP5-PPAR beta / delta ) signaling pathway.
Resolution2.57 Å
Binding residue
(original residue number in PDB)		D79 C120 R129 Y131
Binding residue
(residue number reindexed from 1)		D80 C121 R130 Y132
Annotation score5
Binding affinityBindingDB: Ki=1.26e+3nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001972 retinoic acid binding
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0005504 fatty acid binding
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0042802 identical protein binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006629 lipid metabolic process
GO:0006656 phosphatidylcholine biosynthetic process
GO:0006869 lipid transport
GO:0008544 epidermis development
GO:0010829 negative regulation of D-glucose transmembrane transport
GO:0015908 fatty acid transport
GO:0015909 long-chain fatty acid transport
GO:0031392 regulation of prostaglandin biosynthetic process
GO:0035360 positive regulation of peroxisome proliferator activated receptor signaling pathway
GO:0042593 glucose homeostasis
GO:0051930 regulation of sensory perception of pain
GO:0098921 retrograde trans-synaptic signaling by endocannabinoid
GO:0099178 regulation of retrograde trans-synaptic signaling by endocanabinoid
GO:0120162 positive regulation of cold-induced thermogenesis
GO:1990379 lipid transport across blood-brain barrier
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0030667 secretory granule membrane
GO:0035578 azurophil granule lumen
GO:0045202 synapse
GO:0070062 extracellular exosome
GO:0098978 glutamatergic synapse
GO:0099092 postsynaptic density, intracellular component
GO:0099524 postsynaptic cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lkt, PDBe:4lkt, PDBj:4lkt
PDBsum4lkt
PubMed24692551
UniProtQ01469|FABP5_HUMAN Fatty acid-binding protein 5 (Gene Name=FABP5)

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