Structure of PDB 7ekt Chain D Binding Site BS02

Receptor Information
>7ekt Chain D (length=396) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEFQRKLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVL
TTNIWLQMSWTDHYLQWNVSEYPGVKTVRFPDGQIWKPDILLYNSADERF
DATFHTNVLVNSSGHCQYLPPGIFKSSCYIDVRWFPFDVQHCKLKFGSWS
YGGWSLDLQMQEADISGYIPNGEWDLVGIPGKRSERFYECCKEPYPDVTF
TVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSL
TVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLQYHHHDP
DGGKMPKWTRVILLNWCAWFLRMKRDLAKILEEVRYIANRFRCQDESEAV
CSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA
Ligand information
Ligand IDI34
InChIInChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
InChIKeyCEIIEALEIHQDBX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl
CACTVS 3.385COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl
FormulaC13 H14 Cl N3 O4
NameN-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea
ChEMBLCHEMBL257591
DrugBank
ZINCZINC000001753799
PDB chain7ekt Chain D Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ekt Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		L235 N236 P240 F275
Binding residue
(residue number reindexed from 1)		L213 N214 P218 F253
Annotation score1
Binding affinityBindingDB: EC50=3800nM
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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Biological Process
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Cellular Component
External links
PDB RCSB:7ekt, PDBe:7ekt, PDBj:7ekt
PDBsum7ekt
PubMed33958730
UniProtP36544|ACHA7_HUMAN Neuronal acetylcholine receptor subunit alpha-7 (Gene Name=CHRNA7)

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