Structure of PDB 4bul Chain A Binding Site BS06

Receptor Information
>4bul Chain A (length=674) Species: 158879 (Staphylococcus aureus subsp. aureus N315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEK
ARLDRILNNNEIRQMITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHI
RTLLLTFFYRFMRPLIEAGYVYIAQPPTGYKGLGEMNADQLWETTMNPEH
RALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYARINERNITSE
MRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKKS
ARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDG
AAAMRFTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNL
LANGASGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPD
FPTAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPFQ
VNKARMIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASVI
LNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRRT
QYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKL
SEKQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQ
LVRDELTEIRDRFGDDRRTEIQLG
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 chain4bul Chain A Residue 2493 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bul Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		E435 D508
Binding residue
(residue number reindexed from 1)		E19 D92
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4bul, PDBe:4bul, PDBj:4bul
PDBsum4bul
PubMed23968823
UniProtP66937|GYRB_STAAN DNA gyrase subunit B (Gene Name=gyrB);
Q99XG5|GYRA_STAAN DNA gyrase subunit A (Gene Name=gyrA)

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