Receptor
PDB id Resolution Class Description Source Keywords
1S0I 1.6 Å EC: 3.2.1.18 TRYPANOSOMA CRUZI TRANS-SIALIDASE IN COMPLEX WITH SIALYL-LAC (MICHAELIS COMPLEX) TRYPANOSOMA CRUZI TRANSGLYCOSIDASE SIALYLLACTOSE TRYPANOSOMA CRUZI MICHAELICOMPLEX HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF TRYPANOSOMA CRUZI TRANS-SIALIDASE. STRUCTURE V. 12 775 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GAL SIA B:1;
Valid;
none;
submit data
n/a n/a
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MS9 1.58 Å EC: 3.2.1.18 TRICLINIC FORM OF TRYPANOSOMA CRUZI TRANS-SIALIDASE, IN COMP LACTOSE TRYPANOSOMA CRUZI SIALIDASE TRANS-GLYCOSYLATION PROTEIN-ACRBOHYDRATE INTERACBETA-PROPELLER HYDROLASE
Ref.: THE CRYSTAL STRUCTURE AND MODE OF ACTION OF TRANS-S A KEY ENZYME OF TRYPANOSOMA CRUZI PATHOGENESIS MOL.CELL V. 10 757 2002
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 3PJQ - GLC GAL n/a n/a
2 1S0J - MUS C21 H25 N O11 CC1=CC(=O)....
3 1S0I - GLC GAL SIA n/a n/a
4 1MS8 - DAN C11 H17 N O8 CC(=O)N[C@....
5 1MS0 - BGC GAL n/a n/a
6 1MS9 - BGC GAL n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 1N1T - DAN C11 H17 N O8 CC(=O)N[C@....
2 1N1V Ki = 140 uM DAN C11 H17 N O8 CC(=O)N[C@....
3 3PJQ - GLC GAL n/a n/a
4 1S0J - MUS C21 H25 N O11 CC1=CC(=O)....
5 1S0I - GLC GAL SIA n/a n/a
6 1MS8 - DAN C11 H17 N O8 CC(=O)N[C@....
7 1MS0 - BGC GAL n/a n/a
8 1MS9 - BGC GAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1N1T - DAN C11 H17 N O8 CC(=O)N[C@....
2 1N1V Ki = 140 uM DAN C11 H17 N O8 CC(=O)N[C@....
3 3PJQ - GLC GAL n/a n/a
4 1S0J - MUS C21 H25 N O11 CC1=CC(=O)....
5 1S0I - GLC GAL SIA n/a n/a
6 1MS8 - DAN C11 H17 N O8 CC(=O)N[C@....
7 1MS0 - BGC GAL n/a n/a
8 1MS9 - BGC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GAL SIA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GAL SIA; Similar ligands found: 9
No: Ligand Similarity coefficient
1 GLC GAL SIA 1.0000
2 BGC GAL SIA 0.9887
3 NAG GAL SIA 0.9303
4 NAG 2FG SIA 0.9284
5 GLC GAL NGC 0.9282
6 GAL BGC SIA 0.9156
7 NGA GAL SIA 0.8915
8 NAG GAL NGC 0.8628
9 A2G GAL SIA 0.8614
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MS9; Ligand: BGC GAL; 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: 1ms9.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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