Structure of PDB 5iwi Chain B Binding Site BS03

Receptor Information
>5iwi Chain B (length=192) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGKLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNV
EKARLDRILNNNEIRQMITAFGTGIGGDFDLAKARYHKIVIMTDADVDGA
HIRTLLLTFFYRFMRPLIEAGYVYIAQPPTGYKGLGEMNADQLWETTMNP
EHRALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYA
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5iwi Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5iwi Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		E435 D508
Binding residue
(residue number reindexed from 1)		E21 D94
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:5iwi, PDBe:5iwi, PDBj:5iwi
PDBsum5iwi
PubMed27055939
UniProtP66937|GYRB_STAAN DNA gyrase subunit B (Gene Name=gyrB)

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