Structure of PDB 2g7c Chain B Binding Site BS01
Receptor Information
>2g7c Chain B (length=254) Species:
1496
(Clostridioides difficile) [
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SKAVTGMRTIDGKKYYFNTNTAEAATGWQTIDGKKYYFNTNTSIASTGYT
IINDKHFYFNTDGIMQIGVFKGPDGFEYFAPANTDANNIEGQAIRYQNRF
LYLHDNIYYFGNNSKAATGWVTIDGRRYYFEPNTAIGANGYKIIDNKNFY
FRNGLPQIGVFKGPNGFEYFAPANTDANNIDGQAIRYQNRFLHLLGNIYY
FGNNSKAVTGWQTINGNMYYFMPDTAMAAAGGLFEIDGVIYFFGVDGVKA
PGIY
Ligand information
Ligand ID
GAL
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-FPRJBGLDSA-N
SMILES
Software
SMILES
CACTVS 3.370
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01
OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
Formula
C6 H12 O6
Name
beta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBL
CHEMBL300520
DrugBank
ZINC
ZINC000002597049
PDB chain
2g7c Chain E Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
2g7c
Carbohydrate recognition by Clostridium difficile toxin A.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
E84 S121 K122
Binding residue
(residue number reindexed from 1)
E77 S114 K115
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)
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