Structure of PDB 5zsa Chain A Binding Site BS03

Receptor Information
>5zsa Chain A (length=773) Species: 9544 (Macaca mulatta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARWFPKTLPCDVTLDVSKNHVIVDCTDKHLTEIPGGIPTNTTNLTLTINH
IPDISPASFHRLVHLVEIDFRCNCVPIRLGSKSNMCPRRLQIKPRSFSGL
TYLKSLYLDGNQLLEIPQGLPPSLQLLSLEANNIFSIRKEQLTELANIEI
LYLGQNCYYRNPCYVSYSIEKDAFLNLTKLKVLSLKDNNVTTVPTVLPST
LTELYLYNNMIAEIQEDDFNNLNQLQILDLSGNCPRCYNAPFPCTPCKNN
SPLQIPVNAFDALTELKVLRLHSNSLQHVPPRWFKNINNLQELDLSQNFL
AKEIGDAKFLHFLPNLIQLDLSFNFELQVYRASMNLSQAFSSLKSLKILR
IRGYVFKELKSFQLSPLHNLQNLEVLDLGTNFIKIANLSMFKQFKRLKVI
DLSVNKISPVLEQLYYFRYDKYARSCRSCYKYGQTLDLSKNSIFFIKSSD
FQHLSFLKCLNLSGNLISQTLNGSEFQPLAELRYLDFSNNRLDLLHSTAF
EELRKLEVLDISSNSHYFQSEGITHMLNFTKNLKVLQKLMMNDNDISSST
SRTMESESLRTLEFRGNHLDVLWRDGDNRYLQLFKNLLKLEELDISKNSL
SFLPSGVFDGMPPNLKNLSLAKNGLKSFIWEKLRYLKNLETLDLSHNQLT
TVPERLSNCSRSLKNLILKNNQIRSLTKYFLQDAFQLRYLDLSSNKIQMI
QKTSFPENVLNNLKMLLLHHNRFLCTCDAVWFVWWVQHTEVTIPYLATDV
TCVGPGAHKGQSVISLDLYTCEL
Ligand information
Ligand IDIDQ
InChIInChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)
InChIKeySDSKFWHQCNBICO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N
CACTVS 3.385CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccc(CN)cc4
FormulaC22 H25 N5
Name1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
ChEMBLCHEMBL1271706
DrugBank
ZINCZINC000064513444
PDB chain5zsa Chain A Residue 1009 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zsa To be published
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D555 L557 G584 T586
Binding residue
(residue number reindexed from 1)		D493 L495 G522 T524
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
Biological Process
GO:0002224 toll-like receptor signaling pathway
GO:0006955 immune response
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:5zsa, PDBe:5zsa, PDBj:5zsa
PDBsum5zsa
PubMed30566863
UniProtB3Y653

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