Structure of PDB 7tj9 Chain A Binding Site BS01

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 2416 [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)
Q352 I1432 I1487 Y1491
Binding residue
(residue number reindexed from 1)
Q244 I1039 I1094 Y1098
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

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Molecular Function

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Biological Process

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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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