Structure of PDB 7fyp Chain A Binding Site BS01

Receptor Information
>7fyp 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]
HMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDV
ITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWD
GKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand IDW95
InChIInChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1
InChIKeyZJAOAVRRNBJCLX-QNWJLWSRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CCC(C(C1)OC(=O)C2CC2C(=O)O)C(C)C
ACDLabs 12.01O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O
OpenEye OEToolkits 2.0.7C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2C[C@@H]2C(=O)O)C(C)C
CACTVS 3.385CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]2C[C@@H]2C(O)=O
CACTVS 3.385CC(C)[CH]1CC[CH](C)C[CH]1OC(=O)[CH]2C[CH]2C(O)=O
FormulaC15 H24 O4
Name(1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000095079889
PDB chain7fyp Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fyp Crystal Structure of a human FABP4 complex
Resolution1.12 Å
Binding residue
(original residue number in PDB)		F16 R126 Y128
Binding residue
(residue number reindexed from 1)		F18 R128 Y130
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:7fyp, PDBe:7fyp, PDBj:7fyp
PDBsum7fyp
PubMed
UniProtP15090|FABP4_HUMAN Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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