Structure of PDB 7w9p Chain B Binding Site BS01

Receptor Information
>7w9p 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 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 chain7w9p Chain B Residue 304 [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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PDB7w9p High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		M178 I179
Binding residue
(residue number reindexed from 1)		M159 I160
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0017080 sodium channel regulator activity
Biological Process
GO:0006814 sodium ion transport
Cellular Component
GO:0001518 voltage-gated sodium channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7w9p, PDBe:7w9p, PDBj:7w9p
PDBsum7w9p
PubMed35476982
UniProtQ07699|SCN1B_HUMAN Sodium channel subunit beta-1 (Gene Name=SCN1B)

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