Structure of PDB 4inw Chain A Binding Site BS01

Receptor Information
>4inw Chain A (length=140) Species: 680683 (Amyelois transitella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPEIMKDLSINFGKALDTCKKELDLPDSINEDFYKFWKEDYEITNRLTGC
AIKCLSEKLEMVDADGKLHHGNAREFAMKHGADDAMAKQLVDLIHGCEKS
IPPNDDRCMEVLSIAMCFKKEIHNLKWAPNMEVVVGEVLA
Ligand information
Ligand ID1EY
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5-
InChIKeyZTJGMVSDMQAJPE-OUPQRBNQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC/C=C\C=C/CCCCCCCCCC=O
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCC=CC=CCCCCCCCCCC=O
CACTVS 3.370CC\C=C/C=C\CCCCCCCCCC=O
ACDLabs 12.01O=CCCCCCCCCC/C=C\C=C/CC
FormulaC16 H28 O
Name(11Z,13Z)-hexadeca-11,13-dienal
ChEMBL
DrugBank
ZINCZINC000033953352
PDB chain4inw 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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PDB4inw Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Resolution1.14 Å
Binding residue
(original residue number in PDB)		M5 L8 F12 R107
Binding residue
(residue number reindexed from 1)		M5 L8 F12 R107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:4inw, PDBe:4inw, PDBj:4inw
PDBsum4inw
PubMed23418423
UniProtD0E9M1

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