Structure of PDB 1yae Chain C Binding Site BS01

Receptor Information
>1yae Chain C (length=257) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NITDSLSNRSLIVTTILEEPYVLFKKSDKPLYGNDRFEGYCIDLLRELST
ILGFTYEIRLVEDGKYGAQDDVNGQWNGMVRELIDHKADLAVAPLAITYV
REKVIDFSKPFMTLGISILYRKPDSADDLAKQTKIEYGAVEDGATMTFFK
KSKISTYDKMWAFMSSRRQSVLVKSNEEGIQRVLTSDYAFLMESTTIEFV
TQRNCNLTQIGGLIDSKGYGVGTPMGSPYRDKITIAILQLQEEGKLHMMK
EKWWRGN
Ligand information
Ligand IDDOQ
InChIInChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
InChIKeyVZFRNCSOCOPNDB-AOKDLOFSSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(/C=C/C=C(\C1C(C(C(=O)O)NC1)CC(=O)O)C)C
OpenEye OEToolkits 1.5.0CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0C[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O
CACTVS 3.341C[CH](C=CC=C(C)[CH]1CN[CH]([CH]1CC(O)=O)C(O)=O)C(O)=O
CACTVS 3.341C[C@H](\C=C\C=C(\C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
FormulaC15 H21 N O6
Name(2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID;
(2S,3S,4S)-3-CARBOXYMETHYL-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-HEXA-1,3-DIENYL]-PYRROLIDINE-2-CARBOXYLIC ACID;
DOMOIC ACID
ChEMBLCHEMBL1232313
DrugBankDB02852
ZINCZINC000003995581
PDB chain1yae Chain C Residue 1303 [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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PDB1yae Structure of the kainate receptor subunit GluR6 agonist-binding domain complexed with domoic acid.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		K487 Y488 G489 P516 A518 R523 A689 T690 E738
Binding residue
(residue number reindexed from 1)		K65 Y66 G67 P94 A96 R101 A144 T145 E193
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1yae, PDBe:1yae, PDBj:1yae
PDBsum1yae
PubMed15677325
UniProtP42260|GRIK2_RAT Glutamate receptor ionotropic, kainate 2 (Gene Name=Grik2)

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