Structure of PDB 3dzt Chain A Binding Site BS01

Receptor Information
>3dzt Chain A (length=298) 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
LVESSVKDDFKEAFDYREVRSQIYAFNLPKNQAYSKPAVMEIDGKQCP
Ligand information
Ligand IDEAH
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-14,19,21H,2-5,8,15-18H2,1H3,(H,22,23)/b7-6-,10-9-,12-11+,14-13+/t19-/m1/s1
InChIKeyDVGDBDLZYCUGNU-LBIUVHPXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCC\C=C/C/C=C\C=C\C=C\C[C@@H](O)CCCC(O)=O
ACDLabs 10.04O=C(O)CCCC(O)C/C=C/C=C/C=C\C\C=C/CCCCC
CACTVS 3.341CCCCCC=CCC=CC=CC=CC[CH](O)CCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CC=CC=CCC(CCCC(=O)O)O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O
FormulaC20 H32 O3
Name(5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
ChEMBL
DrugBank
ZINCZINC000064474589
PDB chain3dzt Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dzt Multifunctionality and mechanism of ligand binding in a mosquito antiinflammatory protein
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F13 M17 W34 W37 N39 Y113 G130 K149
Binding residue
(residue number reindexed from 1)		F13 M17 W34 W37 N39 Y113 G130 K149
Annotation score1
Binding affinityMOAD: Kd=60.2nM
PDBbind-CN: -logKd/Ki=7.22,Kd=60.2nM
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:3dzt, PDBe:3dzt, PDBj:3dzt
PDBsum3dzt
PubMed19234127
UniProtP18153|D7L1_AEDAE Long form salivary protein D7L1 (Gene Name=D7)

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