Structure of PDB 5jty Chain A Binding Site BS01

Receptor Information
>5jty Chain A (length=262) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLKIVTIHQEPFVYVKPTMSDGTCKEEFTVNGDPVKKVICTGPHTVPQC
CYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQEKKEWNGMMGELLSGQA
DMIVAPLTINNERAQYIEFSKPFKYQGLTILVKTRITGINDPRLRNPSDK
FIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHA
FIWDSAVLEFEASLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHEN
GFMEDLDKTWVR
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 chain5jty Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jty Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		Q13 F16 F92 P124 L125 T126 R131 W223 F250
Binding residue
(residue number reindexed from 1)		Q10 F13 F80 P106 L107 T108 R113 W203 F226
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:5jty, PDBe:5jty, PDBj:5jty
PDBsum5jty
PubMed27618671
UniProtP35439|NMDZ1_RAT Glutamate receptor ionotropic, NMDA 1 (Gene Name=Grin1)

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