Structure of PDB 7rfn Chain C Binding Site BS01

Receptor Information

>7rfn Chain C (length=538) Species: 272563 (Clostridioides difficile 630)

YYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILYDL
FEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSLTN
KIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLLEKYSEV
YKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLREYIKSNV
NVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNEDICINK
FETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEKCKYSLE
DIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSKNINKYIVDK
SEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSGIRKWYELQW
GREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFIKEEYLDKFS
YEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRIFRDNNYEEI
ENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

Ligand information

>7rfn Chain H (length=14)

ttcaaaaagtccca

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): Y30 N165 Y168 K173 K193 Y221 S227 F253 I256 G257 F345 Q346 I431 R432 W439 R441 K456 Y476 K511 M513 Y521 P522 N523
• Binding residue (residue number reindexed from 1): Y1 N126 Y129 K134 K154 Y182 S188 F214 I217 G218 F306 Q307 I392 R393 W400 R402 K417 Y437 K472 M474 Y482 P483 N484

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