Structure of PDB 8r32 Chain A Binding Site BS02

Receptor Information

>8r32 Chain A (length=253) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NRSLIVTTILEEPYVLFKKSLYGNDRFEGYCIDLLRELSTILGFTYEIRL
VEDGKYGAQDDVNGQWNGMVRELIDHKADLAVAPLAITYVREKVIDFSKP
FMTLGISILYRKGTPIDSADDLAKQTKIEYGAVEDGATMTFFKKSKISTY
DKMWAFMSSRRQSVLVKSNEEGIQRVLTSDYAFLMESTTIEFVTQRNCNL
TQIGGLIDSKGYGVGTPMGSPYRDKITIAILQLQEEGKLHMMKEKWWRGN
GCP

Ligand information

Ligand ID

2J9

InChI

InChI=1S/C10H11FN2O2S/c11-7-1-4-9-10(5-7)16(14,15)12-6-13(9)8-2-3-8/h1,4-5,8,12H,2-3,6H2

InChIKey

FLTMTBPCYAZIKM-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	Fc1ccc2c(c1)S(=O)(=O)NCN2C3CC3
CACTVS 3.385	Fc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3
OpenEye OEToolkits 1.7.6	c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3

Formula

C10 H11 F N2 O2 S

Name

4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide

PDB chain

8r32 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	8r32 The positive allosteric modulator BPAM344 and L-glutamate introduce an active-like structure of the ligand-binding domain of GluK2.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	K531 P532 F533 M534 T535 L783 Q786
Binding residue (residue number reindexed from 1)	K99 P100 F101 M102 T103 L231 Q234
Annotation score	1

External links

PDB	RCSB:8r32, PDBe:8r32, PDBj:8r32
PDBsum	8r32
PubMed	38369668
UniProt	P42260\|GRIK2_RAT Glutamate receptor ionotropic, kainate 2 (Gene Name=Grik2)

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