Structure of PDB 1syh Chain A Binding Site BS01

Receptor Information
>1syh Chain A (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 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 chain1syh Chain A Residue 501 [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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PDB1syh Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E10 Y58 P86 L87 T88 R93 L135 G138 S139 T140 L189 E190 M193
Binding residue
(residue number reindexed from 1)		E11 Y59 P87 L88 T89 R94 L136 G139 S140 T141 L190 E191 M194
Annotation score1
Binding affinityMOAD: Ki=393nM
PDBbind-CN: -logKd/Ki=6.41,Ki=393nM
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
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Cellular Component
External links
PDB RCSB:1syh, PDBe:1syh, PDBj:1syh
PDBsum1syh
PubMed15591246
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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