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 ID
CLR
InChI
InChI=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
InChIKey
HVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341
CC(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 10.04
OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0
CC(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 3.341
CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
Formula
C27 H46 O
Name
CHOLESTEROL
ChEMBL
CHEMBL112570
DrugBank
DB04540
ZINC
ZINC000003875383
PDB chain
7tj9 Chain A Residue 2417 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
7tj9
Structure-guided unlocking of Na X reveals a non-selective tetrodotoxin-sensitive cation channel.
Resolution
2.9 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 score
1
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7tj9
,
PDBe:7tj9
,
PDBj:7tj9
PDBsum
7tj9
PubMed
35301303
UniProt
Q01118
|SCN7A_HUMAN Sodium channel protein type 7 subunit alpha (Gene Name=SCN7A)
[
Back to BioLiP
]