Structure of PDB 3cz1 Chain A Binding Site BS01

Receptor Information
>3cz1 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 chain3cz1 Chain A Residue 122 [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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PDB3cz1 Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L52 I119
Binding residue
(residue number reindexed from 1)		L50 I117
Annotation score1
Binding affinityMOAD: Kd=55nM
PDBbind-CN: -logKd/Ki=7.26,Kd=55.0nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:3cz1, PDBe:3cz1, PDBj:3cz1
PDBsum3cz1
PubMed19481550
UniProtQ9U9J6

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