Structure of PDB 6lvz Chain A Binding Site BS01

Receptor Information
>6lvz Chain A (length=772) 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
DLSVNKISPVLEQLYYFRYDKYARSCSCYKYGQTLDLSKNSIFFIKSSDF
QHLSFLKCLNLSGNLISQTLNGSEFQPLAELRYLDFSNNRLDLLHSTAFE
ELRKLEVLDISSNSHYFQSEGITHMLNFTKNLKVLQKLMMNDNDISSSTS
RTMESESLRTLEFRGNHLDVLWRDGDNRYLQLFKNLLKLEELDISKNSLS
FLPSGVFDGMPPNLKNLSLAKNGLKSFIWEKLRYLKNLETLDLSHNQLTT
VPERLSNCSRSLKNLILKNNQIRSLTKYFLQDAFQLRYLDLSSNKIQMIQ
KTSFPENVLNNLKMLLLHHNRFLCTCDAVWFVWWVQHTEVTIPYLATDVT
CVGPGAHKGQSVISLDLYTCEL
Ligand information
Ligand IDEWX
InChIInChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19)
InChIKeyXWTNEKDECZWUJX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1
OpenEye OEToolkits 2.0.7COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N
FormulaC14 H16 N6 O3
Name6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one
ChEMBL
DrugBank
ZINC
PDB chain6lvz Chain B Residue 1014 [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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PDB6lvz Structural analysis reveals TLR7 dynamics underlying antagonism.
Resolution2.83 Å
Binding residue
(original residue number in PDB)		F351 Y356 F408
Binding residue
(residue number reindexed from 1)		F325 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6lvz, PDBe:6lvz, PDBj:6lvz
PDBsum6lvz
PubMed33060576
UniProtB3Y653

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