Structure of PDB 8cxs Chain A Binding Site BS02

Receptor Information

>8cxs Chain A (length=547) Species: 1496 (Clostridioides difficile)

ASGIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDI
LYDLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKD
SLTNKKVESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKK
FLLEKYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKD
LREYIKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKI
KNEDICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKI
QEKCKYSLEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSK
NINKYIVDKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSG
IRKWYELQWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFI
KEEYLDKFSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRI
FRDNNYEEIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

Ligand information

>8cxs Chain D (length=14)

ttcaaaaagtccca

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cxs Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
• Resolution: 2.49 Å
• Binding residue (original residue number in PDB): Y30 N165 Y168 K173 K193 Y221 S227 F253 I256 G257 Q346 W439 R441 K456 Y476 K511 M513 S514 Y521 P522 N523
• Binding residue (residue number reindexed from 1): Y5 N135 Y138 K143 K163 Y191 S197 F223 I226 G227 Q316 W409 R411 K426 Y446 K481 M483 S484 Y491 P492 N493

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