Structure of PDB 7wel Chain A Binding Site BS07

Receptor Information
>7wel Chain A (length=1102) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSWFSLFITVTILVNCVCMTRTDLPEKIEYVFTVIYTFEALIKILARGFD
PWNWLDFSVITLAYVGTAIDLRGISGLRTFRVLRALKTVSVIPGLKVIVG
ALIHSVKKLADVTILTIFCLSVFALVGLQLFKGNLKNKCVKNDMAYSSHR
KPDIYINKRGTSDPLLCGNGSDSGHCPDGYICLKTSDNPDFNYTSFDSFA
WAFLSLFRLMTQDSWERLYQQTLRTSGKIYMIFFVLVIFLGSFYLVNLIL
AVVTMAYEEQNQATWVKLKTILFGLVTDPFAELTITLCIVVNTIFMAMEH
HGMSPTFEAMLQIGNIVFTIFFTAEMVFKIIAFDPYYYFQKKWNIFDCII
VTVSLLELGVAKKGSLSVLRSFRLLRVFKLAKSWPTLNTLIKIIGNSVGA
LGNLTIILAIIVFVFALVGKQLLGENYRNNRKNISAPHEDWPRWHMHDFF
HSFLIVFRILCGEWIENMWACMEVGQKSICLILFLTVMVLGNLVVLNLFI
ALLLNSFFADVGWQVRKTCYRIVEHSWFESFIIFMILLSSGSLAFEDYYL
DQKPTVKALLEYTDRVFTFIFVFEMLLKWVAYGFKKYFTNAWCWLDFLIV
NISLISLTAKILEYSEVAPIKALRTLRALRPLRALSRFEGMRVVVDALVG
AIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFWRCINYTDGEFSLVPLSIV
NNKSDCKIQNSTGSFFWVNVKVNFDNVAMGYLALLQVATFKGWMDIMYAA
VDSREVNMQPKWEDNVYMYLYFVIFIIFGGFFTLNLFVGVIIDNFNQQKK
KLGGQDIFMTEEQKKYYNAMKKLGSKKPQKPIPRPLNKFQGFVFDIVTRQ
AFDITIMVLICLNMITMMVETDDQSEEKTKILGKINQFFVAVFTGECVMK
MFALRQYYFTNGWNVFDFIVVVLSIASLIFSAILKSLQSYFSPTLFRVIR
LARIGRILRLIRAAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYSIFGM
SSFPHVRWEAGIDDMFNFQTFANSMLCLFQITTSAGWDGLLSPILNTGPP
YCDPNLPNSNGTRGDCGSPAVGIIFFTTYIIISFLIMVNMYIAVILENFN
VA
Ligand information
Ligand IDLPE
InChIInChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1
InChIKeyXKBJVQHMEXMFDZ-AREMUKBSSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O
ACDLabs 10.04O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
CACTVS 3.341CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](O)(=O)OCC[N+](C)(C)C
CACTVS 3.341CCCCCCCCCCCCCCCCCCOC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C
FormulaC26 H57 N O6 P
Name1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
LPC-ETHER
ChEMBL
DrugBankDB03633
ZINCZINC000008860508
PDB chain7wel Chain A Residue 2022 [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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PDB7wel Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		A1170 F1171 L1616 F1647
Binding residue
(residue number reindexed from 1)		A544 F545 L990 F1021
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005248 voltage-gated sodium channel activity
GO:0005261 monoatomic cation channel activity
GO:0005272 sodium channel activity
GO:0044325 transmembrane transporter binding
GO:0099508 voltage-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
Biological Process
GO:0002027 regulation of heart rate
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0007600 sensory perception
GO:0034220 monoatomic ion transmembrane transport
GO:0034765 regulation of monoatomic ion transmembrane transport
GO:0035725 sodium ion transmembrane transport
GO:0042475 odontogenesis of dentin-containing tooth
GO:0055085 transmembrane transport
GO:0055117 regulation of cardiac muscle contraction
GO:0060371 regulation of atrial cardiac muscle cell membrane depolarization
GO:0086002 cardiac muscle cell action potential involved in contraction
GO:0086010 membrane depolarization during action potential
GO:0086016 AV node cell action potential
GO:0086043 bundle of His cell action potential
GO:0099505 regulation of presynaptic membrane potential
Cellular Component
GO:0001518 voltage-gated sodium channel complex
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030424 axon
GO:0034702 monoatomic ion channel complex
GO:0042734 presynaptic membrane
GO:0070062 extracellular exosome
GO:0071439 clathrin complex
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wel, PDBe:7wel, PDBj:7wel
PDBsum7wel
PubMed35858452
UniProtQ9Y5Y9|SCNAA_HUMAN Sodium channel protein type 10 subunit alpha (Gene Name=SCN10A)

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