Structure of PDB 1bso Chain A Binding Site BS01

Receptor Information
>1bso Chain A (length=162) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTP
EGDLEILLQKWENDECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYK
KYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLS
FNPTQLEEQCHI
Ligand information
Ligand IDBRC
InChIInChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
InChIKeyYYKBWYBUCFHYPR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04BrCCCCCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0C(CCCCCC(=O)O)CCCCCBr
CACTVS 3.341OC(=O)CCCCCCCCCCCBr
FormulaC12 H23 Br O2
Name12-BROMODODECANOIC ACID
ChEMBLCHEMBL1231458
DrugBankDB02405
ZINCZINC000001637721
PDB chain1bso Chain A Residue 388 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bso 12-Bromododecanoic acid binds inside the calyx of bovine beta-lactoglobulin.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		L46 K60 I71 F105 M107
Binding residue
(residue number reindexed from 1)		L46 K60 I71 F105 M107
Annotation score1
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1bso, PDBe:1bso, PDBj:1bso
PDBsum1bso
PubMed9827560
UniProtP02754|LACB_BOVIN Beta-lactoglobulin (Gene Name=LGB)

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