Structure of PDB 2xcr Chain D Binding Site BS01

Receptor Information

>2xcr Chain D (length=719) Species: 158879 (Staphylococcus aureus subsp. aureus N315)

GKLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVE
KARLDRILNNNEIRQMITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAH
IRTLLLTFFYRFMRPLIEAGYVYIAQPPLYKLTQGKQKYYVYNDRELDKL
KSELNPTPKWSIARYKGLGEMNADQLWETTMNPEHRALLQVKLEDAIEAD
QTFEMLMGDVVENRRQFIEDNAVYANLDFAELPQSRINERNITSEMRESF
LDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKKSARIVG
DVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAAAMR
FTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLANGA
SGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFPTAG
LILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPFQVNKAR
MIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASVILNNLY
KQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRRTQYNLR
KAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSEKQA
QAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQLVRDE
LTEIRDRFGDDRRTEIQLG

Ligand information

>2xcr Chain E (length=20)

agccgtagggccctacggct

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xcr Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
• Resolution: 3.5 Å
• Binding residue (original residue number in PDB): K460 L462 N463 K466 R471 H515 V626 R629 R1122 I1175 G1178 M1179 A1180 R1238
• Binding residue (residue number reindexed from 1): K45 L47 N48 K51 R56 H100 V211 R214 R350 I403 G406 M407 A408 R466

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:2xcr, PDBe:2xcr, PDBj:2xcr
• PDBsum: 2xcr
• PubMed: 20686482
• UniProt: P66937|GYRB_STAAN DNA gyrase subunit B (Gene Name=gyrB);
  Q99XG5|GYRA_STAAN DNA gyrase subunit A (Gene Name=gyrA)