Structure of PDB 7tj9 Chain A Binding Site BS02

Receptor Information
>7tj9 Chain A (length=1111) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTLSPFNCIRRTTIKVLVHPFFQLFILISVLIDCVFMSLTNLPKWRPVLE
NTLLGIYTFEILVKLFARGVWAGSFSFLGDPWNWLDFSVTVFEVIIRYSP
LDFIPTLQTARTLRILKIIPLNQGLKSLVGVLIHCLKQLIGVIILTLFFL
SIFSLIGMGLFMGNLKHKCFRWPQTGNPYYIRETENFYYLEGERYALLCG
NRTDAGQCPEGYVCVKAGINPDQGFTNFDSFGWALFALFRLMAQDYPEVL
YHQILYASGKVYMIFFVVVSFLFSFYMASLFLGILAMAYEEEKQRVMAPF
TDLFLIICIILNVCFLTLEHYPMSKQTNTLLNIGNLVFIGIFTAEMIFKI
IAMHPYGYFQVGWNIFDSMIVFHGLIELCLANVAGMALLRLFRMLRIFKL
GKYWPTFQILMWSLSNSWVALKDLVLLLFTFIFFSAAFGMKLFGKNYEEF
VCHIDKDCQLPRWHMHDFFHSFLNVFRILCGEWVETLWDCMEVAGQSWCI
PFYLMVILIGNLLVLYLFLALVSSFSSQNIRKTCCKIVENNWFKCFIGLV
TLLSTGTLAFEDIYMDQRKTIKILLEYADMIFTYIFILEMLLKWMAYGFK
AYFSNGWYRLDFVVVIVFCLSLIGKTREELKPLISMKFLRPLRVLSQFER
MKVVVRALIKTTLPTLNVFLVCLMIWLIFSIMGVDLFAGRFYECIDPTSG
ERFPSSEVMNKSRCESLLFNESMLWENAKMNFDNVGNGFLSLLQVATFNG
WITIMNSAIDSVAVNIQPHFEVNIYMYCYFINFIIFGVFLPLSMLITVII
DNFNKHKIKLGGSNIFITVKQRKQYRRLKKLMYEDSQRPVPRPLNKLQGF
IFDVVTSQAFNVIVMVLICFQAIAMMIDTDVQSLQMSIALYWINSIFVML
YTMECILKLIAFRCFYFTIAWNIFDFMVVIFSITGLCLPMTVGSYLVPPS
LVQLILLSRIIHMLRLGKGPKVFHNLMLPLMLSLPALLNIILLIFLVMFI
YAVFGMYNFAYVKKEAGINDVSNFETFGNSMLCLFQVAIFAGWDGMLDAI
FNSKWSDCDPDKINPGTQVRGDCGNPSVGIFYFVSYILISWLIIVNMYIV
VVMEFLNIASK
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7tj9 Chain A Residue 2417 [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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PDB7tj9 Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Resolution2.9 Å
Binding residue
(original residue number in PDB)
M1225 I1354 L1357 R1358 M1374
Binding residue
(residue number reindexed from 1)
M832 I961 L964 R965 M981
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
GO:0005272 sodium channel activity
GO:0044325 transmembrane transporter binding
GO:1990760 osmolarity-sensing monoatomic cation channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0006814 sodium ion transport
GO:0007231 osmosensory signaling pathway
GO:0009617 response to bacterium
GO:0019725 cellular homeostasis
GO:0035725 sodium ion transmembrane transport
GO:0055078 sodium ion homeostasis
GO:0055085 transmembrane transport
GO:0086002 cardiac muscle cell action potential involved in contraction
Cellular Component
GO:0001518 voltage-gated sodium channel complex
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0097386 glial cell projection

View graph for
Molecular Function

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Biological Process

View graph for
Cellular Component
External links
PDB RCSB:7tj9, PDBe:7tj9, PDBj:7tj9
PDBsum7tj9
PubMed35301303
UniProtQ01118|SCN7A_HUMAN Sodium channel protein type 7 subunit alpha (Gene Name=SCN7A)

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