Structure of PDB 6ld4 Chain A Binding Site BS04

Receptor Information
>6ld4 Chain A (length=562) Species: 2043570 (Zika virus ZIKV/H. sapiens/FrenchPolynesia/10087PF/2013) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNMKIIGNRIERIRSEHAETWFFDENHPYRTWAYHGSYEAPLINGVVRLL
SKPWDVVTGVTGIAGQQRVFKEKVDTRVPDPQEGTRQVMSMVSSWLWKEL
GKHKRPRVCTKEEFINKVRSVNDPRFWALVDKEREHHLRGECQSCVYNMM
GKRRAIWYMWLGARFLEFEALGFLNEDHWMGRENSGGGVEGLGLQRLGYV
LEEMSRIPGGRMYADDGWDTRISRFDLENEALITNQMEKGHRALALAIIK
YTYQNKVVKVLRPAEKGKTVMDIISRQDQRGSGQVVTYALNTFTNLVVQL
IRNMEAEEVLEMQDLWLLRRSEKVTNWLQSNGWDRLKRMAVSGDDCVVKP
IDDRFAHALRFLNDMGKVRKQEWKPSTGWDNWEEVPFCSHHFNKLHLKDG
RSIVVPCRHQDELIGRARVSPGASIRETACLAKSYAQMWQLLYFHRRDLR
LMANAICSSVPVDWVPTGRTTWSIHGKGEWMTTEDMLVVWNRVWIEENDH
MEDKTPVTKWTDIPYLGKREDLWCGSLIGHRPRTTWAENIKNTVNMVRRI
IGDEEKYMDYLS
Ligand information
Ligand IDG8F
InChIInChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyVBKIEQKVSHDVGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc(c1)S(=O)(=O)N
CACTVS 3.385COc1cccc(c1)[S](N)(=O)=O
FormulaC7 H9 N O3 S
Name3-methoxybenzenesulfonamide
ChEMBL
DrugBank
ZINCZINC000012359521
PDB chain6ld4 Chain A Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ld4 Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		R473 R731 R739
Binding residue
(residue number reindexed from 1)		R154 R408 R416
Annotation score1
Binding affinityMOAD: ic50=80.6uM
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.1.1.57: methyltransferase cap1.
2.7.7.48: RNA-directed RNA polymerase.
3.4.21.91: flavivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003968 RNA-dependent RNA polymerase activity
GO:0005524 ATP binding
Biological Process
GO:0039694 viral RNA genome replication

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Molecular Function
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Biological Process
External links
PDB RCSB:6ld4, PDBe:6ld4, PDBj:6ld4
PDBsum6ld4
PubMed32796069
UniProtA0A024B7W1|POLG_ZIKVF Genome polyprotein

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