Structure of PDB 4bul Chain C Binding Site BS02

Receptor Information

>4bul Chain C (length=671) Species: 158879 (Staphylococcus aureus subsp. aureus N315)

GKLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVE
KARLDRILNNNEIRQMITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAH
IRTLLLTFFYRFMRPLIEAGYVYIAQPPTGYKGLGEMNADQLWETTMNPE
HRALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYNERNITSEMR
ESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKKSAR
IVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAA
AMRFTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLA
NGASGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFP
TAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPFQVN
KARMIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASVILN
NLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRRTQY
NLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSE
KQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQLV
RDELTEIRDRFGDDRRTEIQL

Ligand information

>4bul Chain F (length=19)

agccgtaggtacaccgcac

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bul Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): E435 G436 D437 S438 R458 G459 K460 D512 R1033 K1043 V1045 H1046 H1079 H1081 S1085 R1092 S1173 I1175 R1272
• Binding residue (residue number reindexed from 1): E20 G21 D22 S23 R43 G44 K45 D97 R214 K224 V226 H227 H260 H262 S266 R273 S354 I356 R453

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

External links

• PDB: RCSB:4bul, PDBe:4bul, PDBj:4bul
• PDBsum: 4bul
• PubMed: 23968823
• UniProt: P66937|GYRB_STAAN DNA gyrase subunit B (Gene Name=gyrB);
  Q99XG5|GYRA_STAAN DNA gyrase subunit A (Gene Name=gyrA)