Structure of PDB 5inq Chain B Binding Site BS02

Receptor Information
>5inq Chain B (length=248) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TISFITWNIDGLDGCNLPERARGVCSCLALYSPDVVFLQEVIPPYCAYLK
KRAASYTIITGNEEGYFTAILLKKGRVKFKSQEIIPFPNTKMMRNLLCVN
VSLGGNEFCLMTSHLESTREHSAERIRQLKTVLGKMQEAPDSTTVIFAGD
TNLRDQEVIKCGGLPDNVFDAWEFLGKPKHCQYTWDTKANNNLRIPAAYK
HRFDRIFFRAEEGHLIPQSLDLVGLEKLDCGRFPSDHWGLLCTLNVVL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5inq Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5inq Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Resolution1.848 Å
Binding residue
(original residue number in PDB)		D132 E162
Binding residue
(residue number reindexed from 1)		D10 E40
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:5inq, PDBe:5inq, PDBj:5inq
PDBsum5inq
PubMed27060144
UniProtQ9JJX7|TYDP2_MOUSE Tyrosyl-DNA phosphodiesterase 2 (Gene Name=Tdp2)

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