Structure of PDB 8usw Chain A Binding Site BS01

Receptor Information
>8usw Chain A (length=726) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQLNATSVTHKPNAIQM
ALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLGLTTR
MSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYSWNHIILLVSDDHEGR
AAQKRLETLLEERESKAEKVLQFDPGTKNVTALLMEAKELEARVIILSAS
EDDAATVYRAAAMLNMTGSGYVWLVGEREISGNALRYAPDGILGLQLING
KNESAHISDAVGVVAQAVHELLEKENITDPPRGCVGNTNIWKTGPLFKRV
LMSSKYADGVTGRVEFNEDGDRKFANYSIMNLQNRKLVQVGIYNGTHVIP
NDRKIIWPGGETEKPRGYQMSTRLKIVTIHQEPFVYVKPTMSDGTCKEEF
TVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTY
EVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERA
QYIEFSKPFKYQGLTILVKKEIPRSTLDSFMQPFQSTLWLLVGLSVHVVA
VMLYLSARILGMVWAGFAMIIVASYTANLAAFLVVDRPEERITGINDPRL
RNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVR
DNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNV
SLSILKSHENGFMEDLDKTWVRYQEC
Ligand information
Ligand IDDQC
InChIInChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
InChIKeyRPXVIAFEQBNEAX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
CACTVS 3.341[O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N
ACDLabs 10.04[O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2
FormulaC9 H4 N4 O4
Name7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
ChEMBL
DrugBank
ZINC
PDB chain8usw Chain A Residue 901 [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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PDB8usw Structure and function of GluN1-3A NMDA receptor excitatory glycine receptor channel
Resolution4.23 Å
Binding residue
(original residue number in PDB)		Q405 F484 L517 T518 S688 W731 D732 V735
Binding residue
(residue number reindexed from 1)		Q381 F460 L493 T494 S616 W659 D660 V663
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:8usw, PDBe:8usw, PDBj:8usw
PDBsum8usw
PubMed38598639
UniProtQ05586|NMDZ1_HUMAN Glutamate receptor ionotropic, NMDA 1 (Gene Name=GRIN1)

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