Structure of PDB 1adl Chain A Binding Site BS01

Receptor Information
>1adl 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 IDACD
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
InChIKeyYZXBAPSDXZZRGB-DOFZRALJSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCC/C=C\C\C=C/C/C=C\C\C=C/CCCC(O)=O
ACDLabs 10.04O=C(O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
CACTVS 3.341CCCCCC=CCC=CCC=CCC=CCCCC(O)=O
FormulaC20 H32 O2
NameARACHIDONIC ACID
ChEMBLCHEMBL15594
DrugBankDB04557
ZINCZINC000004474696
PDB chain1adl Chain A Residue 135 [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]
PDB1adl Adipocyte lipid-binding protein complexed with arachidonic acid. Titration calorimetry and X-ray crystallographic studies.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		T29 A33 D76 R126 Y128
Binding residue
(residue number reindexed from 1)		T29 A33 D76 R126 Y128
Annotation score1
Binding affinityMOAD: Kd=4.4uM
PDBbind-CN: -logKd/Ki=5.36,Kd=4.4uM
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:1adl, PDBe:1adl, PDBj:1adl
PDBsum1adl
PubMed7929228
UniProtP04117|FABP4_MOUSE Fatty acid-binding protein, adipocyte (Gene Name=Fabp4)

[Back to BioLiP]