Structure of PDB 2g7c Chain B Binding Site BS02

Receptor Information

>2g7c Chain B (length=254) Species: 1496 (Clostridioides difficile)

SKAVTGMRTIDGKKYYFNTNTAEAATGWQTIDGKKYYFNTNTSIASTGYT
IINDKHFYFNTDGIMQIGVFKGPDGFEYFAPANTDANNIEGQAIRYQNRF
LYLHDNIYYFGNNSKAATGWVTIDGRRYYFEPNTAIGANGYKIIDNKNFY
FRNGLPQIGVFKGPNGFEYFAPANTDANNIDGQAIRYQNRFLHLLGNIYY
FGNNSKAVTGWQTINGNMYYFMPDTAMAAAGGLFEIDGVIYFFGVDGVKA
PGIY

Ligand information

• Ligand ID: GLA
• 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-PHYPRBDBSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
  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
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-galactopyranose;
  alpha-D-galactose;
  D-galactose;
  galactose;
  ALPHA D-GALACTOSE
• ChEMBL: CHEMBL1233058
• ZINC: ZINC000000901155
• PDB chain: 2g7c Chain E Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2g7c Carbohydrate recognition by Clostridium difficile toxin A.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D92 Q99 A100 I101 R102
• Binding residue (residue number reindexed from 1): D85 Q92 A93 I94 R95
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.-
  3.4.22.-

External links

• PDB: RCSB:2g7c, PDBe:2g7c, PDBj:2g7c
• PDBsum: 2g7c
• PubMed: 16622409
• UniProt: P16154|TCDA_CLODI Toxin A (Gene Name=tcdA)