Structure of PDB 1syi Chain B Binding Site BS01

Receptor Information
>1syi Chain B (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
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAFLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKN
KWWYDKGEC
Ligand information
Ligand IDCPW
InChIInChI=1S/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/m0/s1
InChIKeyVSGUEKZRMJVQOH-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@@H](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O
ACDLabs 10.04O=C(O)C(N)CN1C2=C(C(=O)NC1=O)CCC2
OpenEye OEToolkits 1.5.0C1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O
FormulaC10 H13 N3 O4
Name(S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID
ChEMBLCHEMBL337577
DrugBankDB03240
ZINCZINC000001490608
PDB chain1syi Chain B Residue 382 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1syi Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y58 L87 T88 R93 L135 G138 S139 T140 L189 E190
Binding residue
(residue number reindexed from 1)		Y59 L88 T89 R94 L136 G139 S140 T141 L190 E191
Annotation score1
Binding affinityMOAD: Ki=3330nM
BindingDB: Ki=223nM,EC50=13900nM
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
View graph for
Cellular Component
External links
PDB RCSB:1syi, PDBe:1syi, PDBj:1syi
PDBsum1syi
PubMed15591246
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]