Structure of PDB 3pa8 Chain A

Receptor sequence
>3pa8A (length=245) Species: 272563 (Clostridioides difficile 630) [Search protein sequence]
DFSQNIVVDKEYLLEKISSLARSSERGYIHYIVQLQGDKISYEAACNLFA
KTPYDSVLFQKNIEDSEIAYYYNPGDGEIQEIDKYKIPSIISDRPKIKLT
FIGHGKDEFNTDIFAGFDVDSLSTEIEAAIDLAKEDISPKSIEINLLGCN
MFSYSINVEETYPGKLLLKVKDKISELMPSISQDSIIVSANQYEVRINSE
GRRELLDHSGEWINKEESIIKDISSKEYISFNPKENKITVKSKNL
3D structure
PDB3pa8 Rational design of inhibitors and activity-based probes targeting Clostridium difficile virulence factor TcdB.
ChainA
Resolution2.0 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.4.1.-
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 621 A I46 H110 C155 V201 R202 I40 H104 C149 V195 R196 PDBbind-CN: -logKd/Ki=5.75,IC50=1.78uM
BS02 IHP A R28 R32 Y34 K57 K104 R208 R209 K221 K232 K249 R22 R26 Y28 K51 K98 R202 R203 K215 K226 K243
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