Structure of PDB 3bjh Chain A Binding Site BS01

Receptor Information
>3bjh Chain A (length=117) Species: 7460 (Apis mellifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWVPPEVFDLVAEDKARCMSEHGTTQAQIDDVDKGNLVNEPSITCYMYCL
LEAFSLVDDEANVDEDIMLGLLPDQLQERAQSVMGKCLPTSGSDNCNKIY
NLAKCVQESAPDVWFVI
Ligand information
Ligand IDNBB
InChIInChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyIPRJXAGUEGOFGG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCNS(=O)(=O)c1ccccc1
CACTVS 3.341CCCCN[S](=O)(=O)c1ccccc1
ACDLabs 10.04O=S(=O)(NCCCC)c1ccccc1
FormulaC10 H15 N O2 S
NameN-BUTYL-BENZENESULFONAMIDE
ChEMBLCHEMBL479880
DrugBankDB02055
ZINCZINC000001666831
PDB chain3bjh Chain A Residue 120 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bjh Sulfur single-wavelength anomalous diffraction crystal structure of a pheromone-binding protein from the honeybee Apis mellifera L.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		L52 L53 W116 F117 V118
Binding residue
(residue number reindexed from 1)		L50 L51 W114 F115 V116
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:3bjh, PDBe:3bjh, PDBj:3bjh
PDBsum3bjh
PubMed14594955
UniProtQ9U9J6

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