Structure of PDB 1s9t Chain A Binding Site BS01

Receptor Information
>1s9t Chain A (length=251) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRSLIVTTILEEPYVLFKKSDKPLYGNDRFEGYCIDLLRELSTILGFTYE
IRLVEDGKYGAQDDVNGQWNGMVRELIDHKADLAVAPLAITYVREKVIDF
SKPFMTLGISILYRKGTPIDSADDLAKQTKIEYGAVEDGATMTFFKKSKI
STYDKMWAFMSSRRQSVLVKSNEEGIQRVLTSDYAFLMESTTIEFVTQRN
CNLTQIGGLIDSKGYGVGTPMGSPYRDKITIAILQLQEEGKLHMMKEKWW
R
Ligand information
Ligand IDQUS
InChIInChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
InChIKeyASNFTDCKZKHJSW-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CN1OC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)N1C(=O)NC(=O)O1
ACDLabs 10.04O=C1NC(=O)ON1CC(N)C(=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
CACTVS 3.341N[C@@H](CN1OC(=O)NC1=O)C(O)=O
FormulaC5 H7 N3 O5
Name(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID;
QUISQUALATE
ChEMBLCHEMBL279956
DrugBankDB02999
ZINCZINC000000897456
PDB chain1s9t Chain A Residue 1001 [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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PDB1s9t Crystal structures of the GluR5 and GluR6 ligand binding cores: molecular mechanisms underlying kainate receptor selectivity.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y61 P89 R96 V138 G141 A142 T143 N174 M190 E191
Binding residue
(residue number reindexed from 1)		Y59 P87 R94 V136 G139 A140 T141 N172 M188 E189
Annotation score1
Binding affinityMOAD: Ki=253nM
PDBbind-CN: -logKd/Ki=6.82,IC50=0.15uM
BindingDB: Ki=134nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:1s9t, PDBe:1s9t, PDBj:1s9t
PDBsum1s9t
PubMed15721240
UniProtP42260|GRIK2_RAT Glutamate receptor ionotropic, kainate 2 (Gene Name=Grik2)

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