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Receptor Information

>8i5x Chain B (length=173) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GCVEVDSETEAVYGMTFKILCISCKRRSETNAETFTEWTFRQKGTEEFVK
ILRYENEVLQLEEDERFEGRVVWNGSRGTKDLQDLSIFITNVTYNHSGDY
ECHVYRLLFFENYEHNTSVVKKIHIEVVDKANRDMASIVSEIMMYVLIVV
LTIWLVAEMIYCYKKIAAATETA

Ligand ID

LPE

InChI

InChI=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

InChIKey

XKBJVQHMEXMFDZ-AREMUKBSSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O
ACDLabs 10.04	O=P(OCC(O)COCCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
CACTVS 3.341	CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](O)(=O)OCC[N+](C)(C)C
CACTVS 3.341	CCCCCCCCCCCCCCCCCCOC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C

Formula

C26 H57 N O6 P

Name

1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
LPC-ETHER

PDB chain

8i5x Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8i5x Structural mapping of Na v 1.7 antagonists.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	W173 E177
Binding residue (residue number reindexed from 1)	W154 E158
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0017080	sodium channel regulator activity

	Biological Process
GO:0006814	sodium ion transport

	Cellular Component
GO:0001518	voltage-gated sodium channel complex

PDB	RCSB:8i5x, PDBe:8i5x, PDBj:8i5x
PDBsum	8i5x
PubMed	37270609
UniProt	Q07699\|SCN1B_HUMAN Sodium channel subunit beta-1 (Gene Name=SCN1B)

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Structure of PDB 8i5x Chain B Binding Site BS01