Structure of PDB 6wel Chain D Binding Site BS01

Receptor Information
>6wel Chain D (length=513) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIRKYLANYTQDPSTDNFYYWTCVVTVAYIYNLLFVIARQVFNDLIGPSS
QSLCRFYNNSTTQVECTYNMLTNMKEMPTYSQYPDLGWSKYWHFRMLWVF
FDLLMDCVYLIDTFLNYRMGYMDQGLVVREAEKVTKAYWQSKQYRIDGIS
LIPLDYILGWPIPYINWRGLPILRLNRLIRYKRVRNCLERTETRSSMPNA
FRVVVVVWYIVIIIHWNACLYFWISEWIGLGTDAWVYGHLNKQSLPDDIT
DTLLRRYVYSFYWSTLILTTIGEVPSPVRNIEYAFVTLDLMCGVLIVATI
AGNVGSMISNMSAARTEFQNKMDGIKQYMELRKVSKQLEIRVIKWFDYLW
TNKQSLSDQQVLKVLPDKLQAEIAMQVHFETLRKVRIFQDCEAGLLAELV
LKLQLQVFSPGDFICKKGDIGREMYIVKRGRLQVVDDDGKKVFVTLQEGS
VFGELSILNIAGSKNGNRRTANVRSVGYTDLFVLSKTDLWNALREYPDAR
KLLLAKGREILKK
Ligand information
Ligand IDCPL
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
InChIKeyJLPULHDHAOZNQI-ZTIMHPMXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
FormulaC42 H80 N O8 P
Name1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
ChEMBL
DrugBankDB02306
ZINC
PDB chain6wel Chain D Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6wel Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D147 L148 C172 Y174 Y197 F200 W204 F207
Binding residue
(residue number reindexed from 1)		D44 L45 C66 Y68 Y91 F94 W98 F101
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005221 intracellularly cyclic nucleotide-activated monoatomic cation channel activity
GO:0005222 intracellularly cAMP-activated cation channel activity
GO:0005223 intracellularly cGMP-activated cation channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0030553 cGMP binding
GO:0042802 identical protein binding
GO:0044877 protein-containing complex binding
Biological Process
GO:0003031 detection of carbon dioxide
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0006935 chemotaxis
GO:0007199 G protein-coupled receptor signaling pathway coupled to cGMP nucleotide second messenger
GO:0007399 nervous system development
GO:0007602 phototransduction
GO:0007635 chemosensory behavior
GO:0009454 aerotaxis
GO:0010628 positive regulation of gene expression
GO:0010754 negative regulation of cGMP-mediated signaling
GO:0019722 calcium-mediated signaling
GO:0030516 regulation of axon extension
GO:0034220 monoatomic ion transmembrane transport
GO:0040010 positive regulation of growth rate
GO:0040040 thermosensory behavior
GO:0042048 olfactory behavior
GO:0043052 thermotaxis
GO:0045664 regulation of neuron differentiation
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0048609 multicellular organismal reproductive process
GO:0048812 neuron projection morphogenesis
GO:0050907 detection of chemical stimulus involved in sensory perception
GO:0055085 transmembrane transport
GO:0055093 response to hyperoxia
GO:0070482 response to oxygen levels
GO:0071805 potassium ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0016020 membrane
GO:0017071 intracellular cyclic nucleotide activated cation channel complex
GO:0030425 dendrite
GO:0034703 cation channel complex
GO:0042995 cell projection
GO:0097543 ciliary inversin compartment
GO:0097730 non-motile cilium

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6wel, PDBe:6wel, PDBj:6wel
PDBsum6wel
PubMed32483338
UniProtQ03611|CNG_CAEEL Cyclic nucleotide-gated channel (Gene Name=tax-4)

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