Structure of PDB 6sxe Chain A Binding Site BS02

Receptor Information
>6sxe Chain A (length=271) 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
GDRLDRIEKQLAQNNELLQRQ
Ligand information
Ligand ID9XY
InChIInChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
InChIKeyMHJBZVSGOZTKRH-IZHYLOQSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3
ACDLabs 12.01CNCCOc1ccc(cc1)\C(=C(\CC)c2ccccc2)c3ccc(cc3)O
CACTVS 3.385CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCNC)cc3
CACTVS 3.385CC/C(c1ccccc1)=C(c2ccc(O)cc2)/c3ccc(OCCNC)cc3
OpenEye OEToolkits 2.0.6CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCNC)c3ccccc3
FormulaC25 H27 N O2
NameEndoxifen;
4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
ChEMBLCHEMBL1093458
DrugBank
ZINCZINC000022056306
PDB chain6sxe Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6sxe A tamoxifen receptor within a voltage-gated sodium channel.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		M222 I241
Binding residue
(residue number reindexed from 1)		M224 I243
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:6sxe, PDBe:6sxe, PDBj:6sxe
PDBsum6sxe
PubMed33503406
UniProtA0L5S6

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