Structure of PDB 3fvo Chain B Binding Site BS01

Receptor Information
>3fvo Chain B (length=256) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANRTLIVTTILEEPYVMYRKSDKPLYGNDRFEGYCLDLLKELSNILGFIY
DVKLVPDGKYGAQNDKGEWNGMVKELIDHRADLAVAPLTITYVREKVIDF
SKPFMTLGISILYRKGTPIDSADDLAKQTKIEYGAVRDGSTMTFFKKSKI
STYEKMWAFMSSRQQTALVRNSDEGIQRVLTTDYALLMESTSIEYVTQRN
CNLTQIGGLIDSKGYGVGTPIGSPYRDKITIAILQLQEEGKLHMMKEKWW
RGNGCP
Ligand information
Ligand ID8EP
InChIInChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5+,6+,7-,8-,11+/m0/s1
InChIKeyNRTJEXLNSCGBJU-JROTZIKASA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@@H](C[C@@]1(C[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O
ACDLabs 10.04O=C(O)C(N)CC2(OC1C(OCC(O)C1O)C2)C(=O)O
CACTVS 3.341N[CH](C[C]1(C[CH]2OC[CH](O)[CH](O)[CH]2O1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O
FormulaC11 H17 N O8
Name(2R,3aR,6R,7S,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000038207322
PDB chain3fvo Chain B Residue 2 [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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PDB3fvo Crystal Structures of Human GluR5 Ligand-Binding Core in Complexes with Novel Marine-Derived Toxins, Dysiherbaine and Neodysiherbaine A, and Their Analogues
Resolution1.5 Å
Binding residue
(original residue number in PDB)		E426 Y474 P501 L502 T503 R508 V670 G673 S674 T675 M722 E723 S726
Binding residue
(residue number reindexed from 1)		E12 Y60 P87 L88 T89 R94 V136 G139 S140 T141 M188 E189 S192
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:3fvo, PDBe:3fvo, PDBj:3fvo
PDBsum3fvo
PubMed
UniProtP39086|GRIK1_HUMAN Glutamate receptor ionotropic, kainate 1 (Gene Name=GRIK1)

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