Structure of PDB 8c41 Chain B Binding Site BS03

Receptor Information
>8c41 Chain B (length=720) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLTPAQSKNPAKNELYLVEGDSAGGSAKQGRDRKFQAILPLRGKVINTAK
AKMADILKNEEINTMIYTIGAGVGADFSIEDANYDKIIIMTDADTDGAHI
QTLLLTFFYRYMRPLVEAGHVYIALPPLYKMSKGKGKKEEVAYAWTDGEL
EELRKQFGKGATLQRYKGLGEMNADQLWETTMNPETRTLIRVTIEDLARA
ERRVNVLMGDKVEPRRKWIEDNVKFTLEEATVFHMSNIQNMSLEDIMGER
FGRYSKYIIQDRALPDIRDGLKPVQRRILYSMNKDSNTFDKSYRKSAKSV
GNIMGNFHPHGDSSIYDAMVRMSQNWKNREILVEMHGNNGSMDGDPPAAM
RYTEARLSEIAGYLLQDIEKKTVPFAWNFDDTEKEPTVLPAAFPNLLVNG
STGISAGYATDIPPHNLAEVIDAAVYMIDHPTAKIDKLMEFLPGPDFPTG
AIIQGRDEIKKAYETGKGRVVVRSKTEIEKLKGGKEQIVITEIPYEINKA
NLVKKIDDVRVNNKVAGIAEVRDESDRDGLRIAIELKKDANTELVLNYLF
KYTDLQINYNFNMVAIDNFTPRQVGIVPILSSYIAHRREVILARSRFDKE
KAEKRLHIVEGLIRVISILDEVIALIRASENKADAKENLKVSYDFTEEQA
EAIVTLQLYRLTNTDVVVLQEEEAELREKIAMLAAIIGDERTMYNLMKKE
LREVKKKFATPRLSSLEDTA
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 chain8c41 Chain B Residue 1503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c41 The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin.
Resolution2.393 Å
Binding residue
(original residue number in PDB)		F1316 K1317 T1319 Q1322
Binding residue
(residue number reindexed from 1)		F550 K551 T553 Q556
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:0006259 DNA metabolic process
GO:0006265 DNA topological change
Cellular Component
GO:0005694 chromosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8c41, PDBe:8c41, PDBj:8c41
PDBsum8c41
PubMed
UniProtP72525|PARC_STRPN DNA topoisomerase 4 subunit A (Gene Name=parC)

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