Structure of PDB 6lvx Chain B Binding Site BS01

Receptor Information
>6lvx Chain B (length=771) Species: 9544 (Macaca mulatta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARWFPKTLPCDVTLDVKNHVIVDCTDKHLTEIPGGIPTNTTNLTLTINHI
PDISPASFHRLVHLVEIDFRCNCVPIRLGSKSNMCPRRLQIKPRSFSGLT
YLKSLYLDGNQLLEIPQGLPPSLQLLSLEANNIFSIRKEQLTELANIEIL
YLGQNCYYRNPCYVSYSIEKDAFLNLTKLKVLSLKDNNVTTVPTVLPSTL
TELYLYNNMIAEIQEDDFNNLNQLQILDLSGNCPRCYNAPFPCTPCKNNS
PLQIPVNAFDALTELKVLRLHSNSLQHVPPRWFKNINNLQELDLSQNFLA
KEIGDAKFLHFLPNLIQLDLSFNFELQVYRASMNLSQAFSSLKSLKILRI
RGYVFKELKSFQLSPLHNLQNLEVLDLGTNFIKIANLSMFKQFKRLKVID
LSVNKISPVLEQLYYFRYDKYARSCSCYKYGQTLDLSKNSIFFIKSSDFQ
HLSFLKCLNLSGNLISQTLNGSEFQPLAELRYLDFSNNRLDLLHSTAFEE
LRKLEVLDISSNSHYFQSEGITHMLNFTKNLKVLQKLMMNDNDISSSTSR
TMESESLRTLEFRGNHLDVLWRDGDNRYLQLFKNLLKLEELDISKNSLSF
LPSGVFDGMPPNLKNLSLAKNGLKSFIWEKLRYLKNLETLDLSHNQLTTV
PERLSNCSRSLKNLILKNNQIRSLTKYFLQDAFQLRYLDLSSNKIQMIQK
TSFPENVLNNLKMLLLHHNRFLCTCDAVWFVWWVQHTEVTIPYLATDVTC
VGPGAHKGQSVISLDLYTCEL
Ligand information
Ligand IDEWL
InChIInChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20)
InChIKeyHEKGNUXGYUZNHH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N
CACTVS 3.385CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1
FormulaC16 H19 N5 O2
Name6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one
ChEMBLCHEMBL150961
DrugBank
ZINC
PDB chain6lvx Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6lvx Structural analysis reveals TLR7 dynamics underlying antagonism.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		F351 Y356 F408
Binding residue
(residue number reindexed from 1)		F324 Y329 F381
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:6lvx, PDBe:6lvx, PDBj:6lvx
PDBsum6lvx
PubMed33060576
UniProtB3Y653

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