Structure of PDB 7rfn Chain A Binding Site BS01

Receptor Information

>7rfn Chain A (length=545) Species: 272563 (Clostridioides difficile 630)

GIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILY
DLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSL
TNKKDESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFL
LEKYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLR
EYIKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKN
EDICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQE
KCKYSLEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSKNI
NKYIVDKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSGIR
KWYELQWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFIKE
EYLDKFSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRIFR
DNNYEEIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

Ligand information

>7rfn Chain E (length=14)

atgggactttttga

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rfn Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): H171 K172 K179 D192 K193 I349 D353 K378 K380 R425 Q438 W439 Y455
• Binding residue (residue number reindexed from 1): H139 K140 K147 D160 K161 I317 D321 K346 K348 R393 Q406 W407 Y423

Enzymatic activity

• Enzyme Commision number: 2.1.1.72: site-specific DNA-methyltransferase (adenine-specific).

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• GO:0008168 methyltransferase activity
• GO:0009007 site-specific DNA-methyltransferase (adenine-specific) activity

Biological Process

• GO:0006304 DNA modification
• GO:0032259 methylation

External links

• PDB: RCSB:7rfn, PDBe:7rfn, PDBj:7rfn
• PDBsum: 7rfn
• PubMed: 34523387
• UniProt: Q183J3