Structure of PDB 4inx Chain A Binding Site BS01

Receptor Information
>4inx 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 ID1EX
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,17H,2,7-16H2,1H3/b4-3-,6-5-
InChIKeyGKFQVSXEEVMHMA-OUPQRBNQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC/C=C\C=C/CCCCCCCCCCO
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCC=CC=CCCCCCCCCCCO
CACTVS 3.370CC\C=C/C=C\CCCCCCCCCCO
ACDLabs 12.01OCCCCCCCCCC/C=C\C=C/CC
FormulaC16 H30 O
Name(11Z,13Z)-hexadeca-11,13-dien-1-ol
ChEMBL
DrugBank
ZINCZINC000033841414
PDB chain4inx Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4inx Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Resolution1.853 Å
Binding residue
(original residue number in PDB)		L8 S56 M61 I114 F118
Binding residue
(residue number reindexed from 1)		L8 S56 M61 I114 F118
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:4inx, PDBe:4inx, PDBj:4inx
PDBsum4inx
PubMed23418423
UniProtD0E9M1

[Back to BioLiP]