Structure of PDB 2g7c Chain A Binding Site BS01

Receptor Information
>2g7c Chain A (length=245) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMRTIDGKKYYFNTNTAEAATGWQTIDGKKYYFNTNTSIASTGYTIINDK
HFYFNTDGIMQIGVFKGPDGFEYFAPANTDANNIEGQAIRYQNRFLYLHD
NIYYFGNNSKAATGWVTIDGRRYYFEPNTAIGANGYKIIDNKNFYFRNGL
PQIGVFKGPNGFEYFAPANTDANNIDGQAIRYQNRFLHLLGNIYYFGNNS
KAVTGWQTINGNMYYFMPDTAMAAAGGLFEIDGVIYFFGVDGVKA
Ligand information
Ligand IDGAL
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain2g7c Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2g7c Carbohydrate recognition by Clostridium difficile toxin A.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E84 I101 R102 S121 K122
Binding residue
(residue number reindexed from 1)		E72 I89 R90 S109 K110
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
3.4.22.-
External links
PDB RCSB:2g7c, PDBe:2g7c, PDBj:2g7c
PDBsum2g7c
PubMed16622409
UniProtP16154|TCDA_CLODI Toxin A (Gene Name=tcdA)

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