Structure of PDB 4nf4 Chain A Binding Site BS01

Receptor Information
>4nf4 Chain A (length=277) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLKIVTIHQEPFVYVKPTMSDGTCKEEFTVNGDPVKKVICTGPNDGSPR
HTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVKKEWNGMM
GELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGIN
DPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAI
QAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPW
KQNVSLSILKSHENGFMEDLDKTWVRY
Ligand information
Ligand ID2JK
InChIInChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)13-9(12(15)16)5-10(11)14/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyJLHAMAZZACUPTQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1nc2cc(cc(c2c(O)c1)C)C
OpenEye OEToolkits 1.7.6Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C
CACTVS 3.385Cc1cc(C)c2c(O)cc(nc2c1)C(O)=O
FormulaC12 H11 N O3
Name4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
ChEMBLCHEMBL416006
DrugBank
ZINCZINC000000025331
PDB chain4nf4 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nf4 Structural Insights into Competitive Antagonism in NMDA Receptors.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q13 F16 F92 P124 L125 T126 R131 W223 D224 F250
Binding residue
(residue number reindexed from 1)		Q10 F13 F86 P114 L115 T116 R121 W213 D214 F240
Annotation score1
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:4nf4, PDBe:4nf4, PDBj:4nf4
PDBsum4nf4
PubMed24462099
UniProtP35439|NMDZ1_RAT Glutamate receptor ionotropic, NMDA 1 (Gene Name=Grin1)

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