Receptor
PDB id Resolution Class Description Source Keywords
5A6B 1.77 Å EC: 7.-.-.- GH20C, BETA-HEXOSAMINIDASE FROM STREPTOCOCCUS PNEUMONIAE IN WITH PUGNAC STREPTOCOCCUS PNEUMONIAE HYDROLASE BETA-HEXOSAMINIDASE STREPTOCOCCUS PNEUMONIAE BAPROTEINS CARBOHYDRATE CONFORMATION CATALYTIC DOMAIN ENZYINHIBITORS HOST-PATHOGEN INTERACTIONS HYDROGEN BONDING HYDROLYSIS MODELS POLYSACCHARIDES PROTEIN BINDING VIRULFACTORS
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
OAN C:1627;
B:1627;
A:1627;
D:1627;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 7.9 nM
353.327 C15 H19 N3 O7 CC(=O...
MG C:1628;
B:1628;
A:1628;
Invalid;
Part of Protein;
Invalid;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A6B 1.77 Å EC: 7.-.-.- GH20C, BETA-HEXOSAMINIDASE FROM STREPTOCOCCUS PNEUMONIAE IN WITH PUGNAC STREPTOCOCCUS PNEUMONIAE HYDROLASE BETA-HEXOSAMINIDASE STREPTOCOCCUS PNEUMONIAE BAPROTEINS CARBOHYDRATE CONFORMATION CATALYTIC DOMAIN ENZYINHIBITORS HOST-PATHOGEN INTERACTIONS HYDROGEN BONDING HYDROLYSIS MODELS POLYSACCHARIDES PROTEIN BINDING VIRULFACTORS
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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5A6B Ki = 7.9 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5A6B Ki = 7.9 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5A6B Ki = 7.9 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OAN; 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: OAN; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GDV 0.9250
2 V0N 0.9025
3 LEC 0.9022
4 FVQ 0.8584
5 IDE 0.8583
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A6B; Ligand: OAN; 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: 5a6b.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5A6B; Ligand: OAN; 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: 5a6b.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5A6B; Ligand: OAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5a6b.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5A6B; Ligand: OAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5a6b.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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