Structure of PDB 8ayo Chain A Binding Site BS02

Receptor Information

>8ayo Chain A (length=399) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RTYIVTTILEDPYVMLKKNANQFEGNDRYEGYCVELAAEIAKHVGYSYRL
EIVSDGKYGARDPDTKAWNGMVGELVYGRADVAVAPLTITLVREEVIDFS
KPFMSLGISIMIKKPQKSKPGVFSFLDPLAYEIWMCIVFAYIGVSVVLFL
VSRFSNEFGIFNSLWFSLGAFMQQGCDISPRSLSGRIVGGVWWFFTLIII
SSYTANLAAFLTVERMVSPIESAEDLAKQTEIAYGTLEAGSTKEFFRRSK
IAVFEKMWTYMKSAEPSVFVRTTEEGMIRVRKSKGKYAYLLESTMNEYIE
QRKPCDTMKVGGNLDSKGYGIATPKGSALRGPVNLAVLKLSEQGVLDKLK
SKWWYDKGECGSKTSALSLSNVAGVFYILIGGLGLAMLVALIEFCYKSR

Ligand information

Ligand ID

CYZ

InChI

InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9-,14-/m0/s1

InChIKey

BOCUKUHCLICSIY-KSCJFIISSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C4C3C=CC(C3)C4)N
CACTVS 3.341	N[S](=O)(=O)c1cc2c(N[C@@H](N[S]2(=O)=O)[C@H]3C[C@@H]4C[C@H]3C=C4)cc1Cl
CACTVS 3.341	N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)[CH]3C[CH]4C[CH]3C=C4)cc1Cl
OpenEye OEToolkits 1.5.0	c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C3CC4CC3C=C4
OpenEye OEToolkits 1.5.0	c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4

Formula

C14 H16 Cl N3 O4 S2

Name

CYCLOTHIAZIDE;
3-BICYCLO[2.2.1]HEPT-5-EN-2-YL-6-CHLORO-3,4- DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1 DIOXIDE

PDB chain

8ayo Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8ayo Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Resolution	3.3 Å
Binding residue (original residue number in PDB)	P490 M492 S493 L747 S750 L755 D756
Binding residue (residue number reindexed from 1)	P102 M104 S105 L338 S341 L346 D347
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0001540	amyloid-beta binding
GO:0001965	G-protein alpha-subunit binding
GO:0004970	glutamate-gated receptor activity
GO:0004971	AMPA glutamate receptor activity
GO:0005216	monoatomic ion channel activity
GO:0005515	protein binding
GO:0008179	adenylate cyclase binding
GO:0015276	ligand-gated monoatomic ion channel activity
GO:0019865	immunoglobulin binding
GO:0019901	protein kinase binding
GO:0019904	protein domain specific binding
GO:0022849	glutamate-gated calcium ion channel activity
GO:0030165	PDZ domain binding
GO:0031267	small GTPase binding
GO:0031489	myosin V binding
GO:0031681	G-protein beta-subunit binding
GO:0031698	beta-2 adrenergic receptor binding
GO:0035254	glutamate receptor binding
GO:0038023	signaling receptor activity
GO:0042802	identical protein binding
GO:0051018	protein kinase A binding
GO:0051428	peptide hormone receptor binding
GO:0097110	scaffold protein binding
GO:0099507	ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
GO:0099583	neurotransmitter receptor activity involved in regulation of postsynaptic cytosolic calcium ion concentration
GO:1904315	transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential

	Biological Process
GO:0001919	regulation of receptor recycling
GO:0006811	monoatomic ion transport
GO:0007268	chemical synaptic transmission
GO:0007416	synapse assembly
GO:0007616	long-term memory
GO:0009410	response to xenobiotic stimulus
GO:0009636	response to toxic substance
GO:0009744	response to sucrose
GO:0010226	response to lithium ion
GO:0010628	positive regulation of gene expression
GO:0014070	response to organic cyclic compound
GO:0019228	neuronal action potential
GO:0019722	calcium-mediated signaling
GO:0021510	spinal cord development
GO:0021987	cerebral cortex development
GO:0031623	receptor internalization
GO:0031667	response to nutrient levels
GO:0032355	response to estradiol
GO:0034220	monoatomic ion transmembrane transport
GO:0034765	regulation of monoatomic ion transmembrane transport
GO:0035235	ionotropic glutamate receptor signaling pathway
GO:0035249	synaptic transmission, glutamatergic
GO:0042220	response to cocaine
GO:0043278	response to morphine
GO:0043434	response to peptide hormone
GO:0045471	response to ethanol
GO:0045838	positive regulation of membrane potential
GO:0046685	response to arsenic-containing substance
GO:0048167	regulation of synaptic plasticity
GO:0048266	behavioral response to pain
GO:0050804	modulation of chemical synaptic transmission
GO:0050806	positive regulation of synaptic transmission
GO:0051602	response to electrical stimulus
GO:0060078	regulation of postsynaptic membrane potential
GO:0060291	long-term synaptic potentiation
GO:0060292	long-term synaptic depression
GO:0060992	response to fungicide
GO:0071230	cellular response to amino acid stimulus
GO:0071242	cellular response to ammonium ion
GO:0071359	cellular response to dsRNA
GO:0071363	cellular response to growth factor stimulus
GO:0071375	cellular response to peptide hormone stimulus
GO:0071407	cellular response to organic cyclic compound
GO:0071418	cellular response to amine stimulus
GO:0090326	positive regulation of locomotion involved in locomotory behavior
GO:0099505	regulation of presynaptic membrane potential
GO:0099566	regulation of postsynaptic cytosolic calcium ion concentration
GO:1905232	cellular response to L-glutamate
GO:1990416	cellular response to brain-derived neurotrophic factor stimulus
GO:1990708	conditioned place preference
GO:1990911	response to psychosocial stress
GO:2000463	positive regulation of excitatory postsynaptic potential

	Cellular Component
GO:0005768	endosome
GO:0005769	early endosome
GO:0005783	endoplasmic reticulum
GO:0005789	endoplasmic reticulum membrane
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0005911	cell-cell junction
GO:0008021	synaptic vesicle
GO:0008328	ionotropic glutamate receptor complex
GO:0009897	external side of plasma membrane
GO:0009986	cell surface
GO:0014069	postsynaptic density
GO:0016020	membrane
GO:0030425	dendrite
GO:0030672	synaptic vesicle membrane
GO:0031594	neuromuscular junction
GO:0031901	early endosome membrane
GO:0032279	asymmetric synapse
GO:0032281	AMPA glutamate receptor complex
GO:0032590	dendrite membrane
GO:0032591	dendritic spine membrane
GO:0032809	neuronal cell body membrane
GO:0032991	protein-containing complex
GO:0036477	somatodendritic compartment
GO:0042734	presynaptic membrane
GO:0042995	cell projection
GO:0043005	neuron projection
GO:0043025	neuronal cell body
GO:0043197	dendritic spine
GO:0043198	dendritic shaft
GO:0044297	cell body
GO:0044308	axonal spine
GO:0044309	neuron spine
GO:0045202	synapse
GO:0045211	postsynaptic membrane
GO:0048787	presynaptic active zone membrane
GO:0055037	recycling endosome
GO:0055038	recycling endosome membrane
GO:0060076	excitatory synapse
GO:0097060	synaptic membrane
GO:0098793	presynapse
GO:0098794	postsynapse
GO:0098839	postsynaptic density membrane
GO:0098978	glutamatergic synapse
GO:0099092	postsynaptic density, intracellular component
GO:0099544	perisynaptic space
GO:1990635	proximal dendrite

View graph for
Molecular Function

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Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:8ayo, PDBe:8ayo, PDBj:8ayo
PDBsum	8ayo
PubMed	36966141
UniProt	P19490\|GRIA1_RAT Glutamate receptor 1 (Gene Name=Gria1)

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