Structure of PDB 6sx5 Chain A Binding Site BS01

Receptor Information
>6sx5 Chain A (length=267) Species: 156889 (Magnetococcus marinus MC-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMSRKIRDLIESKRFQNVITAIIVLNGAVLGLLTDTTLSASSQNLLERV
DQLCLTIFIVEISLKIYAYGVRGFFRSGWNLFDFVIVAIALMPAQGSLSV
LRTFRIFRVMRLVSVIPTMRRVVQGMLLALPGVGSVAALLTVVFYIAAVM
ATNLYGATFPEWFGDLSKSLYTLFQVMTLESWSMGIVRPVMNVHPNAWVF
FIPFIMLTTLTVLNLFIGIIVDAMAITKEQEEEAKTGHHQEPISQTLLHL
GDRLDRIEKQLAQNNEL
Ligand information
Ligand ID2CV
InChIInChI=1S/C18H37NO7/c1-2-3-4-5-6-7-8-9-16(24)19(10-11-20)12-14(22)17(25)18(26)15(23)13-21/h14-15,17-18,20-23,25-26H,2-13H2,1H3/t14-,15+,17-,18+/m1/s1
InChIKeyITEIKACYSCODFV-ATLSCFEFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1CCCCCCCCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O
OpenEye OEToolkits 1.6.1CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O
CACTVS 3.352CCCCCCCCCC(=O)N(CCO)C[CH](O)[CH](O)[CH](O)[CH](O)CO
CACTVS 3.352CCCCCCCCCC(=O)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
FormulaC18 H37 N O7
NameHEGA-10
ChEMBL
DrugBank
ZINCZINC000058660490
PDB chain6sx5 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6sx5 A tamoxifen receptor within a voltage-gated sodium channel.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		M189 W196
Binding residue
(residue number reindexed from 1)		M191 W198
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
Biological Process
GO:0006811 monoatomic ion transport
GO:0035725 sodium ion transmembrane transport
GO:0055085 transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0001518 voltage-gated sodium channel complex
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6sx5, PDBe:6sx5, PDBj:6sx5
PDBsum6sx5
PubMed33503406
UniProtA0L5S6

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