Structure of PDB 6ey7 Chain C Binding Site BS03

Receptor Information
>6ey7 Chain C (length=221) Species: 10360 (Human herpesvirus 5 strain AD169) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LITDQSREEFDILRYSTLNTNAYDYFGKTLYVYLDPAFTASGTGVAAVGA
YRHQFLIYGLEHFFLRDESSEVAIAECAAHMIISVLSLHPYLDELRIAVE
GNTNQAAAVRIACLIRQSVQSSTLIRVLFYHTPDQNHIEQPFYLMGRDKA
LAVEQFISRFNSGYIKASQELVSYTIKLSHDPIEYLLEQIQNLRISDDLI
IAVIMATYLCDDIHAIRFRVS
Ligand information
Ligand IDC3W
InChIInChI=1S/C12H12FNO4/c1-14(11(16)6-10(15)12(17)18)7-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,17,18)
InChIKeyNPHNLROPKUDMST-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O
CACTVS 3.385CN(Cc1ccc(F)cc1)C(=O)CC(=O)C(O)=O
FormulaC12 H12 F N O4
Name4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain6ey7 Chain C Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6ey7 Structure-Driven Discovery of alpha , gamma-Diketoacid Inhibitors Against UL89 Herpesvirus Terminase.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F466 N536 T537
Binding residue
(residue number reindexed from 1)		F38 N102 T103
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Biological Process
GO:0051276 chromosome organization

View graph for
Biological Process
External links
PDB RCSB:6ey7, PDBe:6ey7, PDBj:6ey7
PDBsum6ey7
PubMed31458978
UniProtP16732|TRM3_HCMVA Tripartite terminase subunit 3 (Gene Name=TRM3)

[Back to BioLiP]