Structure of PDB 3dye Chain A Binding Site BS01

Receptor Information
>3dye Chain A (length=302) Species: 7159 (Aedes aegypti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGPFDPEEMLFIFTRCMEDNLEDGANRLPMLAKWKEWINEPVDSPATQCF
GKCVLVRTGLYDPVAQKFDASVIQEQFKAYPSLGEKSKVEAYANAVKQLP
STNNDCAAVFKAYDPVHKAHKDTSKNLFHGNKELTKGLYEKLGKDIRQKK
QSYFEFCENKYYPAGSDKRQQLCQIRQYTVLDDALFKEHTDCVMKGIRYI
TKDNQLDVEEVKRDFKLVNKDTKALEEVLNDCKSKEPSNAKEKSWHYYKC
LVESSVKDDFKEAFDYREVRSQIYAFNLPKNQAYSKPAVQSQVMEIDGKQ
CP
Ligand information
Ligand IDLNR
InChIInChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
InChIKeySFLSHLFXELFNJZ-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1[C@H](CN)O)O)O
CACTVS 3.370NC[CH](O)c1ccc(O)c(O)c1
OpenEye OEToolkits 1.7.6c1cc(c(cc1C(CN)O)O)O
ACDLabs 12.01Oc1ccc(cc1O)C(O)CN
CACTVS 3.370NC[C@H](O)c1ccc(O)c(O)c1
FormulaC8 H11 N O3
NameL-NOREPINEPHRINE;
NORADRENALINE
ChEMBLCHEMBL1437
DrugBankDB00368
ZINCZINC000000057624
PDB chain3dye Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dye Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F154 E158 I175 R176 Y178 H189 Y248 F264 E268
Binding residue
(residue number reindexed from 1)		F154 E158 I175 R176 Y178 H189 Y248 F264 E268
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding
GO:0090729 toxin activity
Biological Process
GO:0007608 sensory perception of smell
GO:0035821 modulation of process of another organism
GO:0042311 vasodilation
GO:0050688 regulation of defense response to virus
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3dye, PDBe:3dye, PDBj:3dye
PDBsum3dye
PubMed19234127
UniProtP18153|D7L1_AEDAE Long form salivary protein D7L1 (Gene Name=D7)

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