Structure of PDB 8c1p Chain A Binding Site BS01

Receptor Information

>8c1p 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

8c1p Chain A Residue 1401 [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	8c1p Structural mobility tunes signalling of the GluA1 AMPA glutamate receptor.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	K489 P490 M492 S493 L747 S750 L755 D756
Binding residue (residue number reindexed from 1)	K101 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:8c1p, PDBe:8c1p, PDBj:8c1p
PDBsum	8c1p
PubMed	37704721
UniProt	P19490\|GRIA1_RAT Glutamate receptor 1 (Gene Name=Gria1)

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