Structure of PDB 7rfl Chain C Binding Site BS01

Receptor Information

>7rfl Chain C (length=543) Species: 272563 (Clostridioides difficile 630)

KKASGIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVY
DILYDLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISIL
KDSLTNIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLLE
KYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLREY
IKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNED
ICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEKC
KYSLEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSKNINK
YIVDKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSGIRKW
YELQWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFIKEEY
LDKFSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRIFRDN
NYEEIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

Ligand information

>7rfl Chain H (length=14)

ttcaaaaagtccca

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rfl Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): Y30 N165 Y168 H171 K173 K193 Y221 S227 F253 I256 G257 Q346 I431 R432 W439 R441 K456 Y476 K511 M513 S514 Y521 P522 N523
• Binding residue (residue number reindexed from 1): Y7 N131 Y134 H137 K139 K159 Y187 S193 F219 I222 G223 Q312 I397 R398 W405 R407 K422 Y442 K477 M479 S480 Y487 P488 N489

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:7rfl, PDBe:7rfl, PDBj:7rfl
• PDBsum: 7rfl
• PubMed: 34523387
• UniProt: Q183J3