Structure of PDB 3bft Chain C Binding Site BS01

Receptor Information
>3bft Chain C (length=259) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKN
KWWYDKGEC
Ligand information
Ligand IDS2P
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-/m0/s1
InChIKeySEVVPWOEIHLQGH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1nsnc1O)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1nsnc1O
OpenEye OEToolkits 1.5.0C(c1c(nsn1)O)[C@@H](C(=O)O)N
CACTVS 3.341N[CH](Cc1nsnc1O)C(O)=O
OpenEye OEToolkits 1.5.0C(c1c(nsn1)O)C(C(=O)O)N
FormulaC5 H7 N3 O3 S
Name(2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
ChEMBLCHEMBL429594
DrugBank
ZINC
PDB chain3bft Chain C Residue 264 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bft 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.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		Y61 P89 L90 T91 R96 L138 G141 S142 T143 E193 M196
Binding residue
(residue number reindexed from 1)		Y59 P87 L88 T89 R94 L136 G139 S140 T141 E191 M194
Annotation score1
Binding affinityMOAD: Ki=323nM
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:3bft, PDBe:3bft, PDBj:3bft
PDBsum3bft
PubMed18269227
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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