Structure of PDB 6sxf Chain B Binding Site BS02

Receptor Information
>6sxf Chain B (length=263) Species: 156889 (Magnetococcus marinus MC-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMSRKIRDLIESKRFQNVITAIIVLNGAVLGLLTDTTLSASSQNLLERV
DQLCLTIFIVEISLKIYAYGVRGFFRSGWNLFDFVIVAIALMPRTFRIFR
VMRLVSVIPTMRRVVQGMLLALPGVGSVAALLTVVFYIAAVMATNLYGAT
FPEWFGDLSKSLYTLFQVMTLESWSMGIVRPVMNVHPNAWVFFIPFIMLT
TLTVLNLFIGIIVDAMAITKEQEEEAKTGHHQEPISQTLLHLGDRLDRIE
KQLAQNNELLQRQ
Ligand information
Ligand IDCTX
InChIInChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKeyNKANXQFJJICGDU-QPLCGJKRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
ACDLabs 10.04O(c1ccc(cc1)/C(c2ccccc2)=C(\c3ccccc3)CC)CCN(C)C
CACTVS 3.341CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3
CACTVS 3.341CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCCN(C)C)cc3
OpenEye OEToolkits 1.5.0CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3
FormulaC26 H29 N O
Name(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE;
TRANS FORM OF TAMOXIFEN
ChEMBLCHEMBL83
DrugBankDB00675
ZINCZINC000001530689
PDB chain6sxf Chain B Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6sxf A tamoxifen receptor within a voltage-gated sodium channel.
Resolution2.839 Å
Binding residue
(original residue number in PDB)		M222 A223 K226 I241
Binding residue
(residue number reindexed from 1)		M216 A217 K220 I235
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:6sxf, PDBe:6sxf, PDBj:6sxf
PDBsum6sxf
PubMed33503406
UniProtA0L5S6

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