Structure of PDB 8cy5 Chain C Binding Site BS01

Receptor Information

>8cy5 Chain C (length=539) Species: 1496 (Clostridioides difficile)

IYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILYD
LFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSLT
NKIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLLEKYSE
VYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLREYIKSN
VNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNEDICIN
KFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEKCKYSL
EDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSKNINKYIVD
KSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSGIRKWYELQ
WGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFIKEEYLDKF
SYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRIFRDNNYEE
IENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

Ligand information

>8cy5 Chain H (length=14)

ttcaaaaagtccca

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cy5 Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): Y30 N165 Y168 H171 K173 K193 Y221 S227 F253 I256 G257 F345 Q346 I431 R432 W439 R441 K456 Y476 K511 M513 S514 Y521 P522 N523
• Binding residue (residue number reindexed from 1): Y2 N127 Y130 H133 K135 K155 Y183 S189 F215 I218 G219 F307 Q308 I393 R394 W401 R403 K418 Y438 K473 M475 S476 Y483 P484 N485

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:8cy5, PDBe:8cy5, PDBj:8cy5
• PDBsum: 8cy5
• PubMed: 36581322
• UniProt: Q183J3