Structure of PDB 7rfl Chain A Binding Site BS02

Receptor Information

>7rfl Chain A (length=552) Species: 272563 (Clostridioides difficile 630)

DTKKASGIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLE
VYDILYDLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAIS
ILKDSLTNKKVDESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLE
KKYKKFLLEKYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLES
LSGKDLREYIKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYI
DVFKIKNEDICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDET
FYNKIQEKCKYSLEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKC
WIKSKNINKYIVDKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRR
ECKSGIRKWYELQWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADV
YSFFIKEEYLDKFSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKV
MKIRIFRDNNYEEIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSL
GI

Ligand information

>7rfl Chain D (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): N165 Y168 H171 K173 K193 Y221 S227 F253 I256 G257 Q346 W439 R441 K456 Y476 K511 M513 Y521 P522 N523
• Binding residue (residue number reindexed from 1): N140 Y143 H146 K148 K168 Y196 S202 F228 I231 G232 Q321 W414 R416 K431 Y451 K486 M488 Y496 P497 N498

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