Structure of PDB 7fdt Chain A Binding Site BS01

Receptor Information
>7fdt Chain A (length=133) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDIL
TLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDG
QETTLVRELIDGKLILTLTHGTAVCTRTYEKEA
Ligand information
Ligand IDELA
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-MDZDMXLPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCC/C=C/CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C\CCCCCCCC(=O)O
CACTVS 3.341CCCCCCCC/C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)O
FormulaC18 H34 O2
Name9-OCTADECENOIC ACID
ChEMBLCHEMBL460657
DrugBankDB04224
ZINCZINC000008217338
PDB chain7fdt Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fdt The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with octanoic acid
Resolution0.86 Å
Binding residue
(original residue number in PDB)		T53 K58 D76 R126 Y128
Binding residue
(residue number reindexed from 1)		T54 K59 D77 R127 Y129
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008092 cytoskeletal protein binding
GO:0008289 lipid binding
GO:0036041 long-chain fatty acid binding
GO:0070538 oleic acid binding
Biological Process
GO:0008285 negative regulation of cell population proliferation
GO:0015909 long-chain fatty acid transport
GO:0032365 intracellular lipid transport
GO:0042632 cholesterol homeostasis
GO:0046320 regulation of fatty acid oxidation
GO:0050873 brown fat cell differentiation
GO:0055091 phospholipid homeostasis
GO:0071073 positive regulation of phospholipid biosynthetic process
GO:0140214 positive regulation of long-chain fatty acid import into cell
GO:2001245 regulation of phosphatidylcholine biosynthetic process
Cellular Component
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
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:7fdt, PDBe:7fdt, PDBj:7fdt
PDBsum7fdt
PubMed
UniProtP05413|FABPH_HUMAN Fatty acid-binding protein, heart (Gene Name=FABP3)

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