Structure of PDB 2ans Chain A Binding Site BS01

Receptor Information
>2ans Chain A (length=131) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDLVT
IRSESTFKNTEISFKLGVEFDEITADDRKVKSIITLDGGALVQVQKWDGK
STTIKRKRDGDKLVVECVMKGVTSTRVYERA
Ligand information
Ligand ID2AN
InChIInChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChIKeyFWEOQOXTVHGIFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23
CACTVS 3.370O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
OpenEye OEToolkits 1.7.0c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
FormulaC16 H13 N O3 S
Name8-ANILINO-1-NAPHTHALENE SULFONATE
ChEMBLCHEMBL285527
DrugBankDB04474
ZINCZINC000001532216
PDB chain2ans 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

[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]
PDB2ans Studies of the ligand binding reaction of adipocyte lipid binding protein using the fluorescent probe 1, 8-anilinonaphthalene-8-sulfonate.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F16 F57 R78 V115 C117 R126 Y128
Binding residue
(residue number reindexed from 1)		F16 F57 R78 V115 C117 R126 Y128
Annotation score1
Binding affinityMOAD: Kd=1.2uM
PDBbind-CN: -logKd/Ki=5.92,Kd=1.2uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0008289 lipid binding
GO:0036041 long-chain fatty acid binding
GO:0051427 hormone receptor binding
Biological Process
GO:0009617 response to bacterium
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:0005654 nucleoplasm
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2ans, PDBe:2ans, PDBj:2ans
PDBsum2ans
PubMed10423455
UniProtP04117|FABP4_MOUSE Fatty acid-binding protein, adipocyte (Gene Name=Fabp4)

[Back to BioLiP]