Structure of PDB 1pb9 Chain A Binding Site BS01

Receptor Information
>1pb9 Chain A (length=281) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLKIVTIHQEPFVYVKPTMSDGTCKEEFTVNGDPVKKVICTGPNHTVPQ
CCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMG
ELLSGQADMIVAPLTINTERAQYIEFSKPFKYQGLTILVKKGTRITGIND
PRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQ
AVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWK
QNVSLSILKSHENGFMEDLDKTWVRYQECDS
Ligand information
Ligand ID4AX
InChIInChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
InChIKeyDYDCUQKUCUHJBH-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(=O)NO1)N
ACDLabs 10.04O=C1NOCC1N
CACTVS 3.341N[C@@H]1CONC1=O
OpenEye OEToolkits 1.5.0C1[C@H](C(=O)NO1)N
CACTVS 3.341N[CH]1CONC1=O
FormulaC3 H6 N2 O2
Name(R)-4-AMINO-ISOXAZOLIDIN-3-ONE
ChEMBLCHEMBL771
DrugBankDB00260
ZINCZINC000034676245
PDB chain1pb9 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pb9 Mechanisms of activation, inhibition and specificity: crystal structures of the NMDA receptor NR1 ligand-binding core
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F92 T126 R131 S179 S180 W223 D224
Binding residue
(residue number reindexed from 1)		F81 T115 R120 S168 S169 W212 D213
Annotation score1
Binding affinityMOAD: Ki=241uM
PDBbind-CN: -logKd/Ki=3.62,Ki=241uM
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:1pb9, PDBe:1pb9, PDBj:1pb9
PDBsum1pb9
PubMed12805203
UniProtP35439|NMDZ1_RAT Glutamate receptor ionotropic, NMDA 1 (Gene Name=Grin1)

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