Receptor
PDB id Resolution Class Description Source Keywords
2WMJ 2 Å EC: 3.2.1.102 CRYSTAL STRUCTURE OF THE CATALYTIC MODULE OF A FAMILY 98 GLY HYDROLASE FROM STREPTOCOCCUS PNEUMONIAE SP3-BS71 (SP3GH98) W ITH THE B-TRISACCHARIDE BLOOD GROUP ANTIGEN. STREPTOCOCCUS PNEUMONIAE GLYCOSIDE HYDROLASE STREPTOCOCCUS PNEUMONIAE HYDROLASE FUUTILIZATION BLOOD GROUP ANTIGEN
Ref.: DIFFERENTIAL RECOGNITION AND HYDROLYSIS OF HOST CARBOHYDRATE-ANTIGENS BY STREPTOCOCCUS PNEUMONIAE F GLYCOSIDE HYDROLASES. J.BIOL.CHEM. V. 284 26161 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL FUC GLA C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D71 1.77 Å EC: 3.2.1.102 CRYSTAL STRUCTURE OF A FAMILY 98 GLYCOSIDE HYDROLASE CATALYT (SP3GH98) IN COMPLEX WITH THE TYPE 2 BLOOD GROUP A-TETRASAC( E558A X02 MUTANT) STREPTOCOCCUS PNEUMONIAE HYDROLASE BLOOD GROUP ANTIGEN
Ref.: TOWARDS EFFICIENT ENZYMES FOR THE GENERATION OF UNI BLOOD THROUGH STRUCTURE-GUIDED DIRECTED EVOLUTION. J.AM.CHEM.SOC. V. 137 5695 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4D71 - NAG GAL FUC A2G n/a n/a
2 2WMK - NAG FUC GAL FUC A2G n/a n/a
3 4D72 - NAG GAL FUC A2G n/a n/a
4 2WMJ - GAL FUC GLA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4D71 - NAG GAL FUC A2G n/a n/a
2 2WMK - NAG FUC GAL FUC A2G n/a n/a
3 4D72 - NAG GAL FUC A2G n/a n/a
4 2WMJ - GAL FUC GLA n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WMH - GAL FUC n/a n/a
2 2WMG - NAG FUC GAL FUC n/a n/a
3 4D71 - NAG GAL FUC A2G n/a n/a
4 2WMK - NAG FUC GAL FUC A2G n/a n/a
5 4D72 - NAG GAL FUC A2G n/a n/a
6 2WMJ - GAL FUC GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL FUC GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL FUC GLA; Similar ligands found: 8
No: Ligand Similarity coefficient
1 GAL FUC GLA 1.0000
2 GLA FUC GLA 0.9808
3 GAL FUC GAL 0.9775
4 GAL FUC A2G 0.9379
5 GLA FUC A2G 0.9205
6 GAL FUC NGA 0.9188
7 GL0 FUC A2G 0.9188
8 A2G GAL FUC 0.9188
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D71; Ligand: NAG GAL FUC A2G; 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: 4d71.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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