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Structure of PDB 2lbv Chain A Binding Site BS02

Receptor Information
>2lbv Chain A (length=157) Species: 93934 (Coturnix japonica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTVPDRSEIAGKWYVVALASNTEFFLREKDKMKMAMARISFLGEDELKVS
YAVPKPNGCRKWETTFKKTSDDGEVYYSEEAKKKVEVLDTDYKSYAVIYA
TRVKDGRTLHMMRLYSRSPEVSPAATAIFRKLAGERNYTDEMVAMLPRQE
ECTVDEV
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 chain2lbv Chain A Residue 300 [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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PDB2lbv Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins
ResolutionN/A
Binding residue
(original residue number in PDB)		W13 A37 I39 F41 V49 Y51 V85 Y92 I98 Y115
Binding residue
(residue number reindexed from 1)		W13 A37 I39 F41 V49 Y51 V85 Y92 I98 Y115
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.59,Kd=26nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0036094 small molecule binding
GO:0050544 arachidonate binding
GO:0070538 oleic acid binding
GO:1903981 enterobactin binding
Biological Process
GO:0042742 defense response to bacterium
GO:0045087 innate immune response
Cellular Component
GO:0005576 extracellular region

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Cellular Component
External links
PDB RCSB:2lbv, PDBe:2lbv, PDBj:2lbv
PDBsum2lbv
PubMed21951132
UniProtQ9I9P7|EXFAB_COTJA Extracellular fatty acid-binding protein

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