Structure of PDB 6ld3 Chain A Binding Site BS03

Receptor Information
>6ld3 Chain A (length=578) 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]
PNMKIIGNRIERIRSEHAETWFFDENHPYRTWAYHGSYEAPSLINGVVRL
LSKPWDVVTGVTGIAPYGQQRVFKEKVDTRVPDPQEGTRQVMSMVSSWLW
KELGKHKRPRVCTKEEFINKVRSNTAVEAVNDPRFWALVDKEREHHLRGE
CQSCVYNMMGKRSRAIWYMWLGARFLEFEALGFLNEDHWMGRENSGGGVE
GLGLQRLGYVLEEMSRIPGGRMYADDTAGWDTRISRFDLENEALITNQME
KGHRALALAIIKYTYQNKVVKVLRPAEKGKTVMDIISRQDQRGSGQVVTY
ALNTFTNLVVQLIRNMEAEEVLEMQDLWLLRRSEKVTNWLQSNGWDRLKR
MAVSGDDCVVKPIDDRFAHALRFLNDMGKVRKDTQEWKPSTGWDNWEEVP
FCSHHFNKLHLKDGRSIVVPCRHQDELIGRARVSPGAGWSIRETACLAKS
YAQMWQLLYFHRRDLRLMANAICSSVPVDWVPTGRTTWSIHGKGEWMTTE
DMLVVWNRVWIEENDHMEDKTPVTKWTDIPYLGKREDLWCGSLIGHRPRT
TWAENIKNTVNMVRRIIGDEEKYMDYLS
Ligand information
Ligand IDG8O
InChIInChI=1S/C13H12O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-7H,1-2H3,(H,14,15)
InChIKeyVAKYPMHQCMQOCN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(OC)c(cc1C(O)=O)c2sccc2
OpenEye OEToolkits 2.0.7COc1cc(c(cc1c2cccs2)C(=O)O)OC
FormulaC13 H12 O4 S
Name2,4-dimethoxy-5-thiophen-2-yl-benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain6ld3 Chain A Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ld3 Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L513 C711 H713 R731 M763 L767 T796 S798 H800 G801 W805
Binding residue
(residue number reindexed from 1)		L204 C402 H404 R422 M454 L458 T487 S489 H491 G492 W496
Annotation score1
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:6ld3, PDBe:6ld3, PDBj:6ld3
PDBsum6ld3
PubMed32796069
UniProtA0A024B7W1|POLG_ZIKVF Genome polyprotein

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