Structure of PDB 6npi Chain B Binding Site BS02

Receptor Information
>6npi 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 IDKW1
InChIInChI=1S/C8H9BrN2O4S/c1-4-7(9)8(11-15-4)10-5(12)2-16-3-6(13)14/h2-3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyCMJFFJICEDWDAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(SCC(O)=O)C(Nc1c(c(C)on1)Br)=O
CACTVS 3.385Cc1onc(NC(=O)CSCC(O)=O)c1Br
OpenEye OEToolkits 2.0.7Cc1c(c(no1)NC(=O)CSCC(=O)O)Br
FormulaC8 H9 Br N2 O4 S
Name({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid
ChEMBLCHEMBL1579642
DrugBank
ZINCZINC000000154735
PDB chain6npi Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6npi Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Resolution1.501 Å
Binding residue
(original residue number in PDB)		K514 R521 P535 L536
Binding residue
(residue number reindexed from 1)		K41 R48 P62 L63
Annotation score1
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6npi, PDBe:6npi, PDBj:6npi
PDBsum6npi
PubMed30842315
UniProtP03211|EBNA1_EBVB9 Epstein-Barr nuclear antigen 1 (Gene Name=EBNA1)

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