Structure of PDB 8cxs Chain A

Receptor sequence

>8cxsA (length=547) Species: 1496 (Clostridioides difficile)

ASGIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDI
LYDLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKD
SLTNKKVESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKK
FLLEKYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKD
LREYIKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKI
KNEDICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKI
QEKCKYSLEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCWIKSK
NINKYIVDKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRECKSG
IRKWYELQWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVYSFFI
KEEYLDKFSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVMKIRI
FRDNNYEEIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLGI

3D structure

• PDB: 8cxs Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
• Chain: A
• Resolution: 2.49 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	H171 K172 K179 D192 K193 I349 G351 D353 K378 K380 R425 Q438 W439 Y455 K456 A473	H141 K142 K149 D162 K163 I319 G321 D323 K348 K350 R395 Q408 W409 Y425 K426 A443
BS02	dna	A	Y30 N165 Y168 K173 K193 Y221 S227 F253 I256 G257 Q346 W439 R441 K456 Y476 K511 M513 S514 Y521 P522 N523	Y5 N135 Y138 K143 K163 Y191 S197 F223 I226 G227 Q316 W409 R411 K426 Y446 K481 M483 S484 Y491 P492 N493
BS03	MTA	A	S62 D114 I115 D149 S150 P167	S37 D89 I90 D119 S120 P137

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