Structure of PDB 7vwa Chain A Binding Site BS01

Receptor Information
>7vwa Chain A (length=138) Species: 29058 (Helicoverpa armigera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMASQDVIKNLSMNFAKPLEDCKKEMDLPDSVTTDFYNFWKEGYEFTNR
QTGCAILCLSSKLELLDQELKLHHGKAQEFAKKHGADDAMAKQLVDLIHG
CAQSTPDVADDPCMKTLNVAKCFKAKIHELNWAPSMEL
Ligand information
Ligand ID81K
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-
InChIKeyQFPVVMKZTVQDTL-FPLPWBNLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCC=CCCCCCCCC=O
OpenEye OEToolkits 2.0.7CCCCCC/C=C\CCCCCCCC=O
CACTVS 3.385CCCCCC\C=C/CCCCCCCC=O
FormulaC16 H30 O
Name(Z)-hexadec-9-enal
ChEMBL
DrugBank
ZINCZINC000059725570
PDB chain7vwa 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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PDB7vwa Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K94 L95 A125
Binding residue
(residue number reindexed from 1)		K71 L72 A102
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:7vwa, PDBe:7vwa, PDBj:7vwa
PDBsum7vwa
PubMed35163109
UniProtF5ANH9

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