Structure of PDB 1pb8 Chain A Binding Site BS01

Receptor Information
>1pb8 Chain A (length=282) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLKIVTIHQEPFVYVKPTMSDGTCKEEFTVNGDPVKKVICTGPNRHTVP
QCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMM
GELLSGQADMIVAPLTINTERAQYIEFSKPFKYQGLTILVKKGTRITGIN
DPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAI
QAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPW
KQNVSLSILKSHENGFMEDLDKTWVRYQECDS
Ligand information
Ligand IDDSN
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
InChIKeyMTCFGRXMJLQNBG-UWTATZPHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)N)O
CACTVS 3.341N[C@H](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
ACDLabs 10.04O=C(O)C(N)CO
FormulaC3 H7 N O3
NameD-SERINE
ChEMBLCHEMBL285123
DrugBankDB03929
ZINCZINC000000895342
PDB chain1pb8 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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PDB1pb8 Mechanisms of activation, inhibition and specificity: crystal structures of the NMDA receptor NR1 ligand-binding core
Resolution1.45 Å
Binding residue
(original residue number in PDB)		F92 T126 R131 S179 S180 W223 D224
Binding residue
(residue number reindexed from 1)		F82 T116 R121 S169 S170 W213 D214
Annotation score4
Binding affinityMOAD: Ki=7.02uM
PDBbind-CN: -logKd/Ki=5.15,Ki=7.02uM
BindingDB: IC50=670.0nM
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:1pb8, PDBe:1pb8, PDBj:1pb8
PDBsum1pb8
PubMed12805203
UniProtP35439|NMDZ1_RAT Glutamate receptor ionotropic, NMDA 1 (Gene Name=Grin1)

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