Structure of PDB 4iba Chain A Binding Site BS01

Receptor Information
>4iba Chain A (length=157) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTP
EGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYK
KYLLFCMENQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQ
LEEQCHI
Ligand information
Ligand IDSDS
InChIInChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKeyMOTZDAYCYVMXPC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCO[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCOS(=O)(=O)O
ACDLabs 10.04O=S(=O)(OCCCCCCCCCCCC)O
FormulaC12 H26 O4 S
NameDODECYL SULFATE
ChEMBLCHEMBL1204779
DrugBankDB03967
ZINCZINC000001532179
PDB chain4iba Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iba The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L54 I56 I71 F105 M107
Binding residue
(residue number reindexed from 1)		L54 I56 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

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Molecular Function
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Cellular Component
External links
PDB RCSB:4iba, PDBe:4iba, PDBj:4iba
PDBsum4iba
PubMed23784992
UniProtP02754|LACB_BOVIN Beta-lactoglobulin (Gene Name=LGB)

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