Structure of PDB 6wel Chain D Binding Site BS04

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 807 [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]
PDB6wel Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V290 R291 W314 Y315
Binding residue
(residue number reindexed from 1)		V184 R185 W208 Y209
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

View graph for
Molecular Function
View graph for
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)

[Back to BioLiP]