Structure of PDB 3cyz Chain B Binding Site BS01

Receptor Information
>3cyz Chain B (length=115) Species: 7460 (Apis mellifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPPEVFDLVAEDKARCMSEHGTTQAQIDDVDKGNLVNEPSITCYMYCLLE
AFSLVDDEANVDEDIMLGLLPDQLQERAQSVMGKCLPTSGSDNCNKIYNL
AKCVQESAPDVWFVI
Ligand information
Ligand ID9OD
InChIInChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6-
InChIKeyINJRDZMWIAYEMM-VURMDHGXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)CCCCC\C=C/C(=O)O
CACTVS 3.341CC(=O)CCCCCC=CC(O)=O
ACDLabs 10.04O=C(C)CCCCC/C=C\C(=O)O
CACTVS 3.341CC(=O)CCCCC\C=C/C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)CCCCCC=CC(=O)O
FormulaC10 H16 O3
Name(2Z)-9-oxodec-2-enoic acid;
9-keto-2(E)-decenoic acid
ChEMBL
DrugBank
ZINC
PDB chain3cyz Chain B Residue 121 [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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PDB3cyz Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L53 F117
Binding residue
(residue number reindexed from 1)		L49 F113
Annotation score1
Binding affinityMOAD: Kd=60nM
PDBbind-CN: -logKd/Ki=7.22,Kd=60.0nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:3cyz, PDBe:3cyz, PDBj:3cyz
PDBsum3cyz
PubMed19481550
UniProtQ9U9J6

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