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Structure of PDB 1tow Chain A Binding Site BS01

Receptor Information >1tow Chain A (length=131) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] CDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVIT IKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGK STTIKRKREDDKLVVECVMKGVTSTRVYERA

Ligand information Ligand ID CRZ InChI InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19) InChIKey HQAKVYGASUTQHH-UHFFFAOYSA-N SMILES Software SMILES ACDLabs 10.04 O=C(O)CCCn3c1ccccc1c2c3cccc2 CACTVS 3.341 OC(=O)CCCn1c2ccccc2c3ccccc13 OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c3ccccc3n2CCCC(=O)O Formula C16 H15 N O2 Name 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID; CARBAZOLE BUTANOIC ACID ChEMBL CHEMBL185595 DrugBank DB03851 ZINC PDB chain 1tow Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1tow Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target. Resolution 2.0 Å Binding residue (original residue number in PDB) F16 F57 D76 C117 R126 Y128 Binding residue (residue number reindexed from 1) F16 F57 D76 C117 R126 Y128 Annotation score 1 Binding affinity MOAD: ic50=0.57uM PDBbind-CN: -logKd/Ki=6.24,IC50=0.57uM BindingDB: IC50=570.0nM

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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