Structure of PDB 3cyz Chain B Binding Site BS02

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 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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PDB3cyz Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K17 D35 Y48 M49 L52 L104 A105
Binding residue
(residue number reindexed from 1)		K13 D31 Y44 M45 L48 L100 A101
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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