Structure of PDB 7mvs Chain A Binding Site BS01

Receptor Information
>7mvs Chain A (length=674) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVE
KARLDRILNNNEIRQMITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAH
IRTLLLTFFYRFMRPLIEAGYVYIAQPPTGYKGLGEMNADQLWETTMNPE
HRALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYARINERNITS
EMRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKK
SARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGD
GAAAMRFTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPN
LLANGASGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGP
DFPTAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPF
QVNKARMIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASV
ILNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRR
TQYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFK
LSEKQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLL
QLVRDELTEIRDRFGDDRRTEIQL
Ligand information
Receptor-Ligand Complex Structure
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PDB7mvs Optimization of TopoIV Potency, ADMET Properties, and hERG Inhibition of 5-Amino-1,3-dioxane-Linked Novel Bacterial Topoisomerase Inhibitors: Identification of a Lead with In Vivo Efficacy against MRSA.
Resolution2.60137 Å
Binding residue
(original residue number in PDB)		K10 G29 D30 S31 R51 G52 D105 R234 H247 H280 H282 G283 S286 R293 I376 R473
Binding residue
(residue number reindexed from 1)		K2 G21 D22 S23 R43 G44 D97 R217 H230 H263 H265 G266 S269 R276 I359 R456
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7mvs, PDBe:7mvs, PDBj:7mvs
PDBsum7mvs
PubMed34614347
UniProtP0A0K8|GYRB_STAAU DNA gyrase subunit B (Gene Name=gyrB);
P20831

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