Structure of PDB 5un1 Chain C Binding Site BS01

Receptor Information
>5un1 Chain C (length=415) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLKIVTIHQEPFVYVRPTTSDGTCREEYTINGDPIKKVICNGPDETIPG
RPTVPQCCYGFCVDLLIKLAREMDFTYEVHLVADGKFGTQERVNNSNAAA
WNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKEIP
RTLDSFMQPFQSTLWLLVGLSVHVVAVMLYLLDRFSTLSSAMWFSWRVLL
NSGLGEGAPRSFSARILGMVWAGFAMIIVASYTANLAAFLVLRRPEERIT
GINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAA
EAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKD
SPWKQEVSLNILKSHENGFMEELDKTWVRYQECDATLTFENMAGVFMLVA
GGIVAGIFLIFIEIA
Ligand information
Ligand IDBMK
InChIInChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
InChIKeyLBOJYSIDWZQNJS-CVEARBPZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4
ACDLabs 12.01CC23c1c(cccc1)CC(N2)c4ccccc34
OpenEye OEToolkits 2.0.6CC12c3ccccc3CC(N1)c4c2cccc4
CACTVS 3.385C[C]12N[CH](Cc3ccccc13)c4ccccc24
CACTVS 3.385C[C@]12N[C@H](Cc3ccccc13)c4ccccc24
FormulaC16 H15 N
Name(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
ChEMBLCHEMBL284237
DrugBank
ZINCZINC000025757829
PDB chain5un1 Chain B Residue 1003 [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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PDB5un1 Mechanism of NMDA receptor channel block by MK-801 and memantine.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		V634 A635 T638
Binding residue
(residue number reindexed from 1)		V229 A230 T233
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006811 monoatomic ion transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5un1, PDBe:5un1, PDBj:5un1
PDBsum5un1
PubMed29670280
UniProtA0A1L8F5J9|NMDZ1_XENLA Glutamate receptor ionotropic, NMDA 1 (Gene Name=grin1)

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