Structure of PDB 7rfn Chain C

Receptor sequence

>7rfnC (length=538) Species: 272563 (Clostridioides difficile 630)

YYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILYDL
FEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSLTN
KIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLLEKYSEV
YKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLREYIKSNV
NVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNEDICINK
FETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEKCKYSLE
DIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSKNINKYIVDK
SEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSGIRKWYELQW
GREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFIKEEYLDKFS
YEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRIFRDNNYEEI
ENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

3D structure

• PDB: 7rfn Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
• Chain: C
• Resolution: 2.5 Å

Enzymatic activity

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

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	dna	C	Y30 N165 Y168 K173 K193 Y221 S227 F253 I256 G257 F345 Q346 I431 R432 W439 R441 K456 Y476 K511 M513 Y521 P522 N523	Y1 N126 Y129 K134 K154 Y182 S188 F214 I217 G218 F306 Q307 I392 R393 W400 R402 K417 Y437 K472 M474 Y482 P483 N484
BS02	dna	C	H171 K172 K179 D192 K193 I349 D353 K378 K380 R425 Q438 W439 Y455 K456	H132 K133 K140 D153 K154 I310 D314 K339 K341 R386 Q399 W400 Y416 K417
BS03	MJ7	C	Y30 D114 I115 D149 S150 P167	Y1 D85 I86 D110 S111 P128

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