Structure of PDB 5zsa Chain A Binding Site BS02

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 B Residue 1012 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5zsa To be published
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F351 Q354 V355 Y356 F408
Binding residue
(residue number reindexed from 1)		F325 Q328 V329 Y330 F382
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5zsa, PDBe:5zsa, PDBj:5zsa
PDBsum5zsa
PubMed30566863
UniProtB3Y653

[Back to BioLiP]