Structure of PDB 6ca4 Chain B Binding Site BS01

Receptor Information
>6ca4 Chain B (length=244) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSKLSIISWNVDGLDTNNLSDRARGLCSYLALYTPDVVFLQELIPAYVQY
LKKRAVSYLFFEGSDDGYFTGIMLRKSRVKFLESEIICFPTTQMMRNLLI
AQVTFSGQKLYLMTSHLESTRNQSQERTKQLRVVLQKIKEAPEDAIVIFA
GDTNLRDAEVANVGGLPAGVCDVWEQLGKQEHCRYTWDTQANAACKLRFD
RIFLRSAKTAPPVTPDHMALIGMEKLDCGRYTSDHWGIYCTFNT
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 chain6ca4 Chain B 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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PDB6ca4 New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2).
Resolution1.623 Å
Binding residue
(original residue number in PDB)		D131 E161
Binding residue
(residue number reindexed from 1)		D12 E42
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:6ca4, PDBe:6ca4, PDBj:6ca4
PDBsum6ca4
PubMed29574079
UniProtQ5XJA0|TYDP2_DANRE Tyrosyl-DNA phosphodiesterase 2 (Gene Name=tdp2)

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