Structure of PDB 7fbs Chain A Binding Site BS04

Receptor Information
>7fbs Chain A (length=1118) Species: 10116,582817 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPVRRAAVKILVHSLFSMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAI
YTFESLVKILARGFCLHAFTFLRDPWNWLDFSVIVMAYTTEFVNVSALRT
FRVLRALKTISVISGLKTIVGALIQSVKKLADVMVLTVFCLSVFALIGLQ
LFMGNLRHKCVRNFTELNGTNGLVWNSLDVYLNDPANYLLKNGTTDVLLC
GNSSDAGTCPEGYRCLKAGENPDHGYTSFDSFAWAFLALFRLMTQDCWER
LYQQTLRSAGKIYMIFFMLVIFLGSFYLVNLILAVVAMAYEEQNQATIAE
TEEWMSIKQKVKFVVMDPFADLTITMCIVLNTLFMALEHYNMTAEFEEML
QVGNLVFTGIFTAEMTFKIIALDPYYYFQQGWNIFDSIIVILSLMELGSV
LRSFRLLRVFKLAKSWPTLNTLIKIIGNSVGALGNLTLVLAIIVFIFAVV
GMQLFGKNYSELRHRISDSGLLPRWHMMDFFHAFLIIFRILCGEWIETMW
DCMEVSGQSLCLLVFLLVMVIGNLVVLNLFLALLLSSFGKVWWRLRKTCY
RIVEHSWFETFIIFMILLSSGALAFEDIYLEERKTIKVLLEYADKMFTYV
FVLEMLLKWVAYGFKKYFTNAWCWLDFLIVDVSLVSLVANTLGFAEMGPI
KSLRTLRALRPLRALSRFEGMRVVVNALVGAIPSIMNVLLVCLIFWLIFS
IMGVNLFAGKFGRCINQTEGDLPLNYTIVNNKSECESFNVTGELYWTKVK
VNFDNVGAGYLALLQVATFKGWMDIMYAAVDSRGYEEQPQWEDNLYMYIY
FVVFIIFGSFFTLNLFIGVIIDNFNQQKKKTEEQKKYYNAMKKLGSKKPQ
KPIPRPLNKYQGFIFDIVTKQAFDVTIMFLICLNMVTMMVETDDQSPEKV
NILAKINLLFVAIFTGECIVKMAALRHYYFTNSWNIFDFVVVILSIVGTV
LSDIIQKYFFSPTLFRVIRLARIGRILRLIRGAKGIRTLLFALMMSLPAL
FNIGLLLFLVMFIYSIFGMANFAYVKWEAGIDDMFNFQTFANSMLCLFQI
TTSAGWDGLLSPILNTGPPYCDPNLPNSNGSRGNCGSPAVGILFFTTYII
ISFLIVVNMYIAIILENF
Ligand information
Ligand ID4Y4
InChIInChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/t18-/m1/s1
InChIKeyJWHAUXFOSRPERK-GOSISDBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCNC[CH](O)COc1ccccc1C(=O)CCc2ccccc2
OpenEye OEToolkits 2.0.7CCCNCC(COc1ccccc1C(=O)CCc2ccccc2)O
OpenEye OEToolkits 2.0.7CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O
CACTVS 3.385CCCNC[C@@H](O)COc1ccccc1C(=O)CCc2ccccc2
FormulaC21 H27 N O3
Name1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
ChEMBLCHEMBL1788268
DrugBank
ZINCZINC000001530760
PDB chain7fbs Chain A Residue 2214 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fbs Open-state structure and pore gating mechanism of the cardiac sodium channel.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		Q372 T1711 V1766 Y1769 I1770
Binding residue
(residue number reindexed from 1)		Q245 T1052 V1107 Y1110 I1111
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:0006091 generation of precursor metabolites and energy
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0008218 bioluminescence
GO:0055085 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:7fbs, PDBe:7fbs, PDBj:7fbs
PDBsum7fbs
PubMed34520724
UniProtB7UCZ6;
P15389

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