Structure of PDB 8cy2 Chain A Binding Site BS01

Receptor Information

>8cy2 Chain A (length=544) Species: 1496 (Clostridioides difficile)

GIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILY
DLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSL
TNKKESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLL
EKYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLRE
YIKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNE
DICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEK
CKYSLEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSKNIN
KYIVDKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSGIRK
WYELQWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFIKEE
YLDKFSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRIFRD
NNYEEIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

Ligand information

>8cy2 Chain D (length=14)

ttcaaaaagtccca

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cy2 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
• Resolution: 2.81 Å
• Binding residue (original residue number in PDB): Y30 N165 Y168 H171 K173 K193 Y221 S227 F253 G257 Q346 W439 R441 K456 Y476 K511 M513 Y521 P522 N523
• Binding residue (residue number reindexed from 1): Y3 N132 Y135 H138 K140 K160 Y188 S194 F220 G224 Q313 W406 R408 K423 Y443 K478 M480 Y488 P489 N490

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:8cy2, PDBe:8cy2, PDBj:8cy2
• PDBsum: 8cy2
• PubMed: 36581322
• UniProt: Q183J3