Receptor
PDB id Resolution Class Description Source Keywords
4C1W 1.84 Å EC: 7.-.-.- CARBOHYDRATE BINDING DOMAIN FROM STREPTOCOCCUS PNEUMONIAE NA SIALIDASE COMPLEXED WITH 3'-SIALYLLACTOSE STREPTOCOCCUS PNEUMONIAE SUGAR BINDING PROTEIN CARBOHYDRATE-BINDING MODULE SIALIC ABINDING
Ref.: PREVENTION OF INFLUENZA BY TARGETING HOST RECEPTORS ENGINEERED PROTEINS. PROC.NATL.ACAD.SCI.USA V. 111 6401 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRS A:1306;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
GLC GAL SIA B:1;
Valid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C1W 1.84 Å EC: 7.-.-.- CARBOHYDRATE BINDING DOMAIN FROM STREPTOCOCCUS PNEUMONIAE NA SIALIDASE COMPLEXED WITH 3'-SIALYLLACTOSE STREPTOCOCCUS PNEUMONIAE SUGAR BINDING PROTEIN CARBOHYDRATE-BINDING MODULE SIALIC ABINDING
Ref.: PREVENTION OF INFLUENZA BY TARGETING HOST RECEPTORS ENGINEERED PROTEINS. PROC.NATL.ACAD.SCI.USA V. 111 6401 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4C1W - GLC 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 271 families.
1 4C1W - GLC GAL SIA n/a n/a
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 4C1W - GLC GAL SIA 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 : 4C1W; Ligand: GLC 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: 4c1w.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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