Structure of PDB 3gbb Chain B Binding Site BS01

Receptor Information
>3gbb Chain B (length=257) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANRTLIVTTILEEPYVMYRKSDKPLYGNDRFEGYCLDLLKELSNILGFL
YDVKLVPDGKYGAQNDKGEWNGMVKELIDHRADLAVAPLTITYVREKVID
FSKPFMTLGISILYRKGTPIDSADDLAKQTKIEYGAVRDGSTMTFFKKSK
ISTYEKMWAFMSSRQQSALVKNSDEGIQRVLTTDYALLMESTSIEYVTQR
NCNLTQIGGLIDSKGYGVGTPIGSPYRDKITIAILQLQEEGKLHMMKEKW
WRGNGCP
Ligand information
Ligand IDMS8
InChIInChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/t6-,7+,8+,11+/m0/s1
InChIKeyRZIYCCQNKHONBB-PRKAOEEVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@@H](C[C@@]1(C[C@H]2OCCC[C@H]2O1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1
CACTVS 3.341N[CH](C[C]1(C[CH]2OCCC[CH]2O1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1CC2C(CC(O2)(CC(C(=O)O)N)C(=O)O)OC1
ACDLabs 10.04O=C(O)C(N)CC2(OC1C(OCCC1)C2)C(=O)O
FormulaC11 H17 N O6
Name(2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000038235795
PDB chain3gbb Chain B Residue 258 [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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PDB3gbb Full Domain Closure of the Ligand-binding Core of the Ionotropic Glutamate Receptor iGluR5 Induced by the High Affinity Agonist Dysiherbaine and the Functional Antagonist 8,9-Dideoxyneodysiherbaine
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E13 Y61 L89 T90 R95 G140 S141 T142 E190 S193
Binding residue
(residue number reindexed from 1)		E13 Y61 L89 T90 R95 G140 S141 T142 E190 S193
Annotation score1
Binding affinityMOAD: Ki=126nM
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:3gbb, PDBe:3gbb, PDBj:3gbb
PDBsum3gbb
PubMed19297335
UniProtP22756|GRIK1_RAT Glutamate receptor ionotropic, kainate 1 (Gene Name=Grik1)

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