Structure of PDB 5j3p Chain A Binding Site BS01

Receptor Information
>5j3p Chain A (length=246) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMFSLITWNIDGLDLNNLSERARGVCSYLALYSPDVIFLQEVIPPYYSYL
KKRSSNYEIITGHEEGYFTAIMLKKSRVKLKSQEIIPFPSTKMMRNLLCV
HVNVSGNELCLMTSHLESTRGHAAERMNQLKMVLKKMQEAPESATVIFAG
DTNLRDREVTRSGGLPNNIVDVWEFLGKPKHCQYTWDTQMNSNLGITAAC
KLRFDRIFFRAAHIIPRSLDLLGLEKLDCGRFPSDHWGLLCNLDII
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5j3p Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5j3p Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D122 E152
Binding residue
(residue number reindexed from 1)		D11 E41
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.4.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:5j3p, PDBe:5j3p, PDBj:5j3p
PDBsum5j3p
PubMed27099339
UniProtO95551|TYDP2_HUMAN Tyrosyl-DNA phosphodiesterase 2 (Gene Name=TDP2)

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