Receptor
PDB id Resolution Class Description Source Keywords
2RDG 1.6 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL SUPERANTIGEN-LIKE PROTEI COMPLEX WITH SIALYL LEWIS X STAPHYLOCOCCUS AUREUS OB FOLD BETA GRASP PROTEIN-CARBOHYDRATE COMPLEX TOXIN
Ref.: THE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL SUPERANTIGE PROTEIN 11 IN COMPLEX WITH SIALYL LEWIS X REVEALS T MECHANISM FOR CELL BINDING AND IMMUNE INHIBITION MOL.MICROBIOL. V. 66 1342 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:608;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
K A:605;
A:606;
A:607;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
39.098 K [K+]
NDG FUC GAL SIA B:1;
Valid;
none;
Kd = 0.72 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RDG 1.6 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL SUPERANTIGEN-LIKE PROTEI COMPLEX WITH SIALYL LEWIS X STAPHYLOCOCCUS AUREUS OB FOLD BETA GRASP PROTEIN-CARBOHYDRATE COMPLEX TOXIN
Ref.: THE CRYSTAL STRUCTURE OF STAPHYLOCOCCAL SUPERANTIGE PROTEIN 11 IN COMPLEX WITH SIALYL LEWIS X REVEALS T MECHANISM FOR CELL BINDING AND IMMUNE INHIBITION MOL.MICROBIOL. V. 66 1342 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 2RDG Kd = 0.72 uM NDG FUC GAL SIA 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 67 families.
1 2RDG Kd = 0.72 uM NDG FUC GAL SIA n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 2Z8L - NAG FUC GAL SIA n/a n/a
2 4DXG Kd = 87 nM NDG FUC GAL SIA n/a n/a
3 2RDG Kd = 0.72 uM NDG FUC GAL SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NDG FUC GAL SIA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NDG FUC GAL SIA; Similar ligands found: 4
No: Ligand Similarity coefficient
1 NDG FUC GAL SIA 1.0000
2 NAG FUC GAL SIA 0.9756
3 MAG FUC GAL SIA 0.9236
4 MAG GAL SIA FUC 0.9230
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2RDG; Ligand: NDG FUC GAL SIA; 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: 2rdg.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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