Structure of PDB 2g7c Chain A Binding Site BS04

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 IDGLA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain2g7c Chain D Residue 3 [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)		D183 Q190 A191 I192 R193
Binding residue
(residue number reindexed from 1)		D171 Q178 A179 I180 R181
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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