Structure of PDB 5j40 Chain A Binding Site BS01

Receptor Information
>5j40 Chain A (length=358) Species: 10632 (JC polyomavirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKQVSWKLVTQYALDTKCEDVFLLMGMYLNFQEAPAACAACAAADQPNHF
NHHEKHYYNAQIFADSKNQKSICQQAVDTVAAKQRVDSLHMTREEMLVER
FNFLLDKMDLIFGAHGNAVLEQYMAGVAWIHCLLPQMDTVIYEFLKCIVL
NIPKKRYWLFKGPIDSGKTTLAAALLDLCGGKSLNVNMPLERLNFELGVG
IDQFMVVFEDVKGTGAESRDLPSGHGISNLDCLRDYLDGSVKVNLERRTQ
VFPPGIVTMNEYSVPRTLQARFVRQIDFRPKAYLRKSLSCSEYLLEKRIL
QSGMTLLLLLIWFRPVADFAAAIHERIVQWKERLDLEISMYTFSTMKANV
GMGAPILD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5j40 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5j40 Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		C303 C306 H314 H318
Binding residue
(residue number reindexed from 1)		C38 C41 H49 H53
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
Biological Process
GO:0006260 DNA replication

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Molecular Function
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Biological Process
External links
PDB RCSB:5j40, PDBe:5j40, PDBj:5j40
PDBsum5j40
PubMed27385654
UniProtP03072|LT_POVJC Large T antigen

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