Structure of PDB 8cy1 Chain C Binding Site BS01

Receptor Information

>8cy1 Chain C (length=540) Species: 1496 (Clostridioides difficile)

GIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILY
DLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSL
TNKIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLLEKYS
EVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLREYIKS
NVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNEDICI
NKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEKCKYS
LEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSKNINKYIV
DKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSGIRKWYEL
QWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFIKEEYLDK
FSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRIFRDNNYE
EIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

Ligand information

>8cy1 Chain H (length=14)

ttcaaaaagtccca

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cy1 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): Y30 N165 Y168 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): Y3 N128 Y131 K136 K156 Y184 S190 F216 I219 G220 Q309 I394 R395 W402 R404 K419 Y439 K474 M476 S477 Y484 P485 N486

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:8cy1, PDBe:8cy1, PDBj:8cy1
• PDBsum: 8cy1
• PubMed: 36581322
• UniProt: Q183J3