Receptor
PDB id Resolution Class Description Source Keywords
5A69 2.2 Å EC: 3.2.1.52 GH20C, BETA-HEXOSAMINIDASE FROM STREPTOCOCCUS PNEUMONIAE IN WITH GAL-PUGNAC STREPTOCOCCUS PNEUMONIAE HYDROLASE BETA-HEXOSAMINIDASE CARBOHYDRATE CONFORMATION CDOMAIN ENZYME INHIBITORS HOST-PATHOGEN INTERACTIONS HYDRBONDING HYDROLYSIS POLYSACCHARIDES PROTEIN BINDING VIRUFACTORS
Ref.: A SECOND BETA-HEXOSAMINIDASE ENCODED IN THE STREPTO PNEUMONIAE GENOME PROVIDES AN EXPANDED BIOCHEMICAL TO DEGRADE HOST GLYCANS. J. BIOL. CHEM. V. 290 30888 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OGN A:1627;
 Valid;
 none;
 Ki = 1.1 nM
353.327 C15 H19 N3 O7 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A69 2.2 Å EC: 3.2.1.52 GH20C, BETA-HEXOSAMINIDASE FROM STREPTOCOCCUS PNEUMONIAE IN WITH GAL-PUGNAC STREPTOCOCCUS PNEUMONIAE HYDROLASE BETA-HEXOSAMINIDASE CARBOHYDRATE CONFORMATION CDOMAIN ENZYME INHIBITORS HOST-PATHOGEN INTERACTIONS HYDRBONDING HYDROLYSIS POLYSACCHARIDES PROTEIN BINDING VIRUFACTORS
Ref.: A SECOND BETA-HEXOSAMINIDASE ENCODED IN THE STREPTO PNEUMONIAE GENOME PROVIDES AN EXPANDED BIOCHEMICAL TO DEGRADE HOST GLYCANS. J. BIOL. CHEM. V. 290 30888 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5AC4 - NGA C8 H15 N O6 CC(=O)N[C@....
2 5A69 Ki = 1.1 nM OGN C15 H19 N3 O7 CC(=O)N[C@....
3 5A6K Ki = 1130 nM NSG C8 H15 N O4 S C[C@H]1N[C....
4 5AC5 - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2EPN Ki = 60 nM NGT C8 H13 N O4 S CC1=N[C@@H....
2 5AC4 - NGA C8 H15 N O6 CC(=O)N[C@....
3 5A69 Ki = 1.1 nM OGN C15 H19 N3 O7 CC(=O)N[C@....
4 5A6K Ki = 1130 nM NSG C8 H15 N O4 S C[C@H]1N[C....
5 5AC5 - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2EPN Ki = 60 nM NGT C8 H13 N O4 S CC1=N[C@@H....
2 5AC4 - NGA C8 H15 N O6 CC(=O)N[C@....
3 5A69 Ki = 1.1 nM OGN C15 H19 N3 O7 CC(=O)N[C@....
4 5A6K Ki = 1130 nM NSG C8 H15 N O4 S C[C@H]1N[C....
5 5AC5 - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OGN; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 OAN 1 1
2 OGN 1 1
3 8M7 0.76 0.951613
4 NP6 0.76 0.921875
5 VPU 0.730769 0.893939
6 GDL PHJ NAG 0.622222 0.967213
7 5G0 GAL 0.56044 0.838235
8 GYZ 0.5 0.864407
9 LOG 0.492754 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: OGN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A69; Ligand: OGN; 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: 5a69.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5A69; Ligand: OGN; 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: 5a69.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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