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Structure of PDB 6vh6 Chain B Binding Site BS01

Receptor Information
>6vh6 Chain B (length=134) Species: 10377 (Human herpesvirus 4 strain B95-8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNPKFENIAEGLRALLARSHVERTTDEGTWVAGVFVYGGSKTSLYNLRRG
TALAIPQCRLTPLSRLPFGMAPGPGPQPGPLRESIVCYFMVFLQTHIFAE
VLKDAIKDLVMTKPAPTCNIRVTVCSFDDGVDLP
Ligand information
Ligand IDQX4
InChIInChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3
InChIKeyWIRGBZBGYNIZIB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ccc2OC(=O)C=C(O)c2c1
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)C(=CC(=O)O2)O
ACDLabs 12.01C=2C(=O)Oc1ccc(C)cc1C=2O
FormulaC10 H8 O3
Name4-hydroxy-6-methyl-2H-1-benzopyran-2-one
ChEMBLCHEMBL1631885
DrugBank
ZINCZINC000095483602
PDB chain6vh6 Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vh6 Biophysical Screens Identify Fragments That Bind to the Viral DNA-Binding Proteins EBNA1 and LANA.
Resolution1.3 Å
Binding residue
(original residue number in PDB)
I481 S516 N519 L582 T590
Binding residue
(residue number reindexed from 1)
I8 S43 N46 L109 T117
Annotation score1
Binding affinityMOAD: Kd~4mM
Enzymatic activity
Enzyme Commision number 3.1.21.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006275 regulation of DNA replication
GO:0006355 regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
Cellular Component
GO:0042025 host cell nucleus

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Cellular Component
External links
PDB RCSB:6vh6, PDBe:6vh6, PDBj:6vh6
PDBsum6vh6
PubMed32290261
UniProtP03211|EBNA1_EBVB9 Epstein-Barr nuclear antigen 1 (Gene Name=EBNA1)

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