Structure of PDB 7ekp Chain B Binding Site BS03
Receptor Information
>7ekp Chain B (length=396) Species:
9606
(Homo sapiens) [
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GEFQRKLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVL
TTNIWLQMSWTDHYLQWNVSEYPGVKTVRFPDGQIWKPDILLYNSADERF
DATFHTNVLVNSSGHCQYLPPGIFKSSCYIDVRWFPFDVQHCKLKFGSWS
YGGWSLDLQMQEADISGYIPNGEWDLVGIPGKRSERFYECCKEPYPDVTF
TVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSL
TVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLQYHHHDP
DGGKMPKWTRVILLNWCAWFLRMKRDLAKILEEVRYIANRFRCQDESEAV
CSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA
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
7ekp Chain B Residue 603 [
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Receptor-Ligand Complex Structure
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PDB
7ekp
Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Resolution
2.85 Å
Binding residue
(original residue number in PDB)
W330 C471
Binding residue
(residue number reindexed from 1)
W308 C365
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0004888
transmembrane signaling receptor activity
GO:0005216
monoatomic ion channel activity
GO:0005230
extracellular ligand-gated monoatomic ion channel activity
GO:0022848
acetylcholine-gated monoatomic cation-selective channel activity
Biological Process
GO:0006811
monoatomic ion transport
GO:0034220
monoatomic ion transmembrane transport
Cellular Component
GO:0016020
membrane
GO:0045211
postsynaptic membrane
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:7ekp
,
PDBe:7ekp
,
PDBj:7ekp
PDBsum
7ekp
PubMed
33958730
UniProt
P36544
|ACHA7_HUMAN Neuronal acetylcholine receptor subunit alpha-7 (Gene Name=CHRNA7)
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