Structure of PDB 6oq7 Chain A Binding Site BS02

Receptor Information

>6oq7 Chain A (length=541) Species: 1496 (Clostridioides difficile)

SLVNRKQLEKMANVRFRVQEDEYVAILDALEEYHNMSENTVVEKYLKLKD
INSLTDTYIDTYKKSGRNKALKKFKEYLVIEILELKNSNLTPVEKNLHFI
WIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTIIESASN
DTLESFRENLNDPEFNHTAFFRKRMQIIYDKQQNFINYYKAQKEENPDLI
IDDIVKTYLSNEYSKDIDELNAYIEESLNKVTENSGNDVRNFEEFKTGEV
FNLYEQELVERWNLAGASDILRVAILKNIGGVYLDVDMLPGIHPDLFKDI
NKPDSVKTAVDWEEMQLEAIMKHKEYIPEYTSKHFDTLDEEVQSSFESVL
ASKSDKSEIFLPLGDIEVSPLEVKIAFAKGSIINQALISAKDSYCSDLLI
KQIQNRYKILNDTLGPIISQGNDFNTTMNNFGESLGAIANEENISFIAKI
GSYLRVGFYPEANTTITLSGPTIYAGAYKDLLTFKEMSIDTSILSSELRN
FEFPKVNISQATEQEKNSLWQFNEERAKIQFEEYKKNYFEG

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 6oq7 Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6oq7 Structure of the full-length Clostridium difficile toxin B.
• Resolution: 2.39 Å
• Binding residue (original residue number in PDB): D270 R273 D286 I384 N385 I467
• Binding residue (residue number reindexed from 1): D269 R272 D285 I383 N384 I466
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.-
  3.4.22.-

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity

External links

• PDB: RCSB:6oq7, PDBe:6oq7, PDBj:6oq7
• PDBsum: 6oq7
• PubMed: 31308519
• UniProt: Q9EXR0|TCDB2_CLODI Toxin B (Gene Name=tcdB)