Structure of PDB 8fs2 Chain A

Receptor sequence

>8fs2A (length=543) Species: 1496 (Clostridioides difficile)

YYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILYDL
FEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSLTN
KKVESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLLE
KYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLREY
IKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNED
ICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEKC
KYSLEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSKNINK
YIVDKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSGIRKW
YELQWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFIKEEY
LDKFSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRIFRDN
NYEEIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

3D structure

• PDB: 8fs2 Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
• Chain: A
• Resolution: 2.59 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	A	Y30 N165 Y168 K173 K193 Y221 S227 F253 G257 Q346 W439 R441 K456 Y476 K511 M513 Y521 N523	Y1 N131 Y134 K139 K159 Y187 S193 F219 G223 Q312 W405 R407 K422 Y442 K477 M479 Y487 N489
BS02	dna	A	H171 K172 K176 K179 D192 K193 I349 G351 C352 D353 K378 K380 R425 Q438 W439 Y455	H137 K138 K142 K145 D158 K159 I315 G317 C318 D319 K344 K346 R391 Q404 W405 Y421
BS03	YB5	A	Y30 S62 D114 I115 D149 S150 P167 Y178 F200	Y1 S33 D85 I86 D115 S116 P133 Y144 F166

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:8fs2, PDBe:8fs2, PDBj:8fs2
• PDBsum: 8fs2
• PubMed: 37082867
• UniProt: Q183J3