Structure of PDB 8fqe Chain B Binding Site BS02

Receptor Information
>8fqe Chain B (length=270) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKPQKSKPLTVERMVSPIESAEDLSKQTEIAYGTLDSG
STKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYL
LESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLGTPVNLAVLKL
SEQGVLDKLKNKWWYDKGEC
Ligand information
Ligand IDCYZ
InChIInChI=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
InChIKeyBOCUKUHCLICSIY-KSCJFIISSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C4C3C=CC(C3)C4)N
CACTVS 3.341N[S](=O)(=O)c1cc2c(N[C@@H](N[S]2(=O)=O)[C@H]3C[C@@H]4C[C@H]3C=C4)cc1Cl
CACTVS 3.341N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)[CH]3C[CH]4C[CH]3C=C4)cc1Cl
OpenEye OEToolkits 1.5.0c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C3CC4CC3C=C4
OpenEye OEToolkits 1.5.0c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4
FormulaC14 H16 Cl N3 O4 S2
NameCYCLOTHIAZIDE;
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
ChEMBL
DrugBank
ZINCZINC000006507050
PDB chain8fqe Chain B Residue 1302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8fqe The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Resolution3.14 Å
Binding residue
(original residue number in PDB)		K493 P494 F495 M496 S497 L751 S754 D760
Binding residue
(residue number reindexed from 1)		K101 P102 F103 M104 S105 L248 S251 D257
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006811 monoatomic ion transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8fqe, PDBe:8fqe, PDBj:8fqe
PDBsum8fqe
PubMed38409505
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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