Structure of PDB 3ksa Chain C Binding Site BS04

Receptor Information
>3ksa Chain C (length=220) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLTPAQSKNPAKNELYLVEGDSAGGSAKQGRDRKFQAILPLRGKVINTAK
AKMADILKNEEINTMIYTIGAGVDFSIEANYDKIIIMTDADTDGAHIQTL
LLTFFYRYMRPLVEAGHVYIALPPLYKMSKKKEEVAYAWTDGELEELRKQ
FGKGATLQRYKGLGEMNADQLWETTMNPETRTLIRVTIEDLARAERRVNV
LMGDKVEPRRKWIEDNVKFT
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 chain3ksa Chain C Residue 742 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ksa Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Resolution3.3 Å
Binding residue
(original residue number in PDB)		E433 D506
Binding residue
(residue number reindexed from 1)		E19 D89
Annotation score4
Enzymatic activity
Enzyme Commision number 5.6.2.2: DNA topoisomerase (ATP-hydrolyzing).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003918 DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
GO:0005524 ATP binding
Biological Process
GO:0006265 DNA topological change

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Molecular Function
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Biological Process
External links
PDB RCSB:3ksa, PDBe:3ksa, PDBj:3ksa
PDBsum3ksa
PubMed20596531
UniProtQ59961|PARE_STRPN DNA topoisomerase 4 subunit B (Gene Name=parE)

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