Structure of PDB 3bfu Chain D Binding Site BS01

Receptor Information
>3bfu Chain D (length=260) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGECGS
Ligand information
Ligand IDR2P
InChIInChI=1S/C5H7N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m1/s1
InChIKeySEVVPWOEIHLQGH-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(c1c(nsn1)O)[C@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1nsnc1O
CACTVS 3.341N[CH](Cc1nsnc1O)C(O)=O
OpenEye OEToolkits 1.5.0C(c1c(nsn1)O)C(C(=O)O)N
CACTVS 3.341N[C@H](Cc1nsnc1O)C(O)=O
FormulaC5 H7 N3 O3 S
Name(2R)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
ChEMBLCHEMBL402444
DrugBank
ZINC
PDB chain3bfu Chain D Residue 264 [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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PDB3bfu Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Y61 L90 T91 R96 G141 S142 T143 E193 M196
Binding residue
(residue number reindexed from 1)		Y58 L87 T88 R93 G138 S139 T140 E190 M193
Annotation score1
Binding affinityMOAD: Ki=531nM
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:3bfu, PDBe:3bfu, PDBj:3bfu
PDBsum3bfu
PubMed18269227
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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