Receptor
PDB id Resolution Class Description Source Keywords
4DXG 2.5 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF STAPHYLOCOCCAL SUPERANTIGEN-LIKE PROTEI COMPLEXED WITH SIALYL LEWIS X STAPHYLOCOCCUS AUREUS OLIGONUCLEOTIDE/OLIGOSACCHARIDE BINDING FOLD BETA GRASP FOLSUPERANTIGEN FOLD CARBOHYDRATE BINDING SUGAR BINDING PROT
Ref.: STRUCTURAL AND FUNCTIONAL PROPERTIES OF STAPHYLOCOC SUPERANTIGEN-LIKE PROTEIN 4 INFECT.IMMUN. V. 80 4004 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:306;
A:307;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
PIN A:305;
 Invalid;
 none;
 submit data
302.368 C8 H18 N2 O6 S2 C1CN(...
NDG FUC GAL SIA B:1;
 Valid;
 none;
 Kd = 87 nM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DXG 2.5 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF STAPHYLOCOCCAL SUPERANTIGEN-LIKE PROTEI COMPLEXED WITH SIALYL LEWIS X STAPHYLOCOCCUS AUREUS OLIGONUCLEOTIDE/OLIGOSACCHARIDE BINDING FOLD BETA GRASP FOLSUPERANTIGEN FOLD CARBOHYDRATE BINDING SUGAR BINDING PROT
Ref.: STRUCTURAL AND FUNCTIONAL PROPERTIES OF STAPHYLOCOC SUPERANTIGEN-LIKE PROTEIN 4 INFECT.IMMUN. V. 80 4004 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 4DXG Kd = 87 nM 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 44 families.
1 4DXG Kd = 87 nM 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 : 4DXG; 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: 4dxg.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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