Structure of PDB 7g1c Chain A Binding Site BS01

Receptor Information
>7g1c Chain A (length=134) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGD
VITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKW
DGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand IDWNF
InChIInChI=1S/C15H20O3/c1-11-5-4-7-13(9-11)18-10-12-6-2-3-8-14(12)15(16)17/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,16,17)/t12-,14-/m0/s1
InChIKeyBEOCMNOTTQAHDK-JSGCOSHPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(c1)OC[C@@H]2CCCC[C@@H]2C(=O)O
CACTVS 3.385Cc1cccc(OC[C@@H]2CCCC[C@@H]2C(O)=O)c1
CACTVS 3.385Cc1cccc(OC[CH]2CCCC[CH]2C(O)=O)c1
OpenEye OEToolkits 2.0.7Cc1cccc(c1)OCC2CCCCC2C(=O)O
ACDLabs 12.01O=C(O)C1CCCCC1COc1cc(C)ccc1
FormulaC15 H20 O3
Name(1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain7g1c Chain A Residue 201 [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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PDB7g1c Crystal Structure of a human FABP4 complex
Resolution1.08 Å
Binding residue
(original residue number in PDB)		F16 A75 R126 Y128
Binding residue
(residue number reindexed from 1)		F19 A78 R129 Y131
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0036041 long-chain fatty acid binding
GO:0051427 hormone receptor binding
Biological Process
GO:0009617 response to bacterium
GO:0015908 fatty acid transport
GO:0015909 long-chain fatty acid transport
GO:0042632 cholesterol homeostasis
GO:0045892 negative regulation of DNA-templated transcription
GO:0050729 positive regulation of inflammatory response
GO:0050872 white fat cell differentiation
GO:0050873 brown fat cell differentiation
GO:0071285 cellular response to lithium ion
GO:0071356 cellular response to tumor necrosis factor
GO:0120162 positive regulation of cold-induced thermogenesis
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005811 lipid droplet
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:7g1c, PDBe:7g1c, PDBj:7g1c
PDBsum7g1c
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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