Structure of PDB 1b0o Chain A Binding Site BS01

Receptor Information
>1b0o Chain A (length=161) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPE
GDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKK
YLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSF
NPTQLEEQCHI
Ligand information
Ligand IDPLM
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(O)=O
FormulaC16 H32 O2
NamePALMITIC ACID
ChEMBLCHEMBL82293
DrugBankDB03796
ZINCZINC000006072466
PDB chain1b0o Chain A Residue 180 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b0o beta-lactoglobulin binds palmitate within its central cavity.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		L46 K60 K69 F105 M107
Binding residue
(residue number reindexed from 1)		L45 K59 K68 F104 M106
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0019841 retinol binding
GO:0036041 long-chain fatty acid binding
GO:0036094 small molecule binding
GO:0042802 identical protein binding
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:1b0o, PDBe:1b0o, PDBj:1b0o
PDBsum1b0o
PubMed9867826
UniProtP02754|LACB_BOVIN Beta-lactoglobulin (Gene Name=LGB)

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