Receptor
PDB id Resolution Class Description Source Keywords
2G7C 2 Å NON-ENZYME: TOXIN_VIRAL CLOSTRIDIUM DIFFICILE TOXIN A FRAGMENT BOUND TO AGAL(1,3)BGA BGLCNAC CLOSTRIDIUM DIFFICILE LINEAR B TRISACCHARIDE PROTEIN-CARBOHYDRATE COMPLEX BACTERTOXIN TOXIN
Ref.: CARBOHYDRATE RECOGNITION BY CLOSTRIDIUM DIFFICILE T NAT.STRUCT.MOL.BIOL. V. 13 460 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:501;
A:503;
A:504;
A:505;
B:502;
B:506;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG GAL GLA F:1;
C:1;
D:1;
E:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2G7C 2 Å NON-ENZYME: TOXIN_VIRAL CLOSTRIDIUM DIFFICILE TOXIN A FRAGMENT BOUND TO AGAL(1,3)BGA BGLCNAC CLOSTRIDIUM DIFFICILE LINEAR B TRISACCHARIDE PROTEIN-CARBOHYDRATE COMPLEX BACTERTOXIN TOXIN
Ref.: CARBOHYDRATE RECOGNITION BY CLOSTRIDIUM DIFFICILE T NAT.STRUCT.MOL.BIOL. V. 13 460 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 2G7C - NAG GAL GLA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 2G7C - NAG GAL GLA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 2G7C - NAG GAL GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG GAL GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GAL GLA; Similar ligands found: 3
No: Ligand Similarity coefficient
1 NAG GAL GLA 1.0000
2 NAG GAL GAL 0.9560
3 GAL BGC GLA 0.8854
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2G7C; Ligand: NAG GAL GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2g7c.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2G7C; Ligand: NAG GAL GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2g7c.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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