Receptor
PDB id Resolution Class Description Source Keywords
2J7M 2.3 Å EC: 3.-.-.- CHARACTERIZATION OF A FAMILY 32 CBM CLOSTRIDIUM PERFRINGENS GLYCOSIDE HYDROLASE CARBOHYDRATE BINDING CBM HYDROLASE HTRISACCHARIDE
Ref.: THE INTERACTION OF A CARBOHYDRATE-BINDING MODULE FR CLOSTRIDIUM PERFRINGENS N-ACETYL-BETA-HEXOSAMINIDAS ITS CARBOHYDRATE RECEPTOR J.BIOL.CHEM. V. 281 37748 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1768;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
NDG GAL FUC B:1;
Valid;
none;
Ka = 1200 M^-1
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J1E 2.4 Å EC: 3.-.-.- HIGH RESOLUTION CRYSTAL STRUCTURE OF CBM32 FROM A N-ACETYL-B HEXOSAMINIDASE IN COMPLEX WITH LACNAC CLOSTRIDIUM PERFRINGENS PROTEIN-CARBOHYDRATE INTERACTIONS GLYCOSIDE HYDROLASE CARBBINDING MODULE HYDROLASE CBM
Ref.: THE INTERACTION OF A CARBOHYDRATE-BINDING MODULE FR CLOSTRIDIUM PERFRINGENS N-ACETYL-BETA-HEXOSAMINIDAS ITS CARBOHYDRATE RECEPTOR J.BIOL.CHEM. V. 281 37748 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 2J7M Ka = 1200 M^-1 NDG GAL FUC n/a n/a
2 2J1A Kd = 980 uM GAL C6 H12 O6 C([C@@H]1[....
3 2J1E Ka = 111 M^-1 NDG GAL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 2J7M Ka = 1200 M^-1 NDG GAL FUC n/a n/a
2 2J1A Kd = 980 uM GAL C6 H12 O6 C([C@@H]1[....
3 2J1E Ka = 111 M^-1 NDG GAL n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4A45 Kd = 294 uM GAL NGA n/a n/a
2 4AAX Kd = 199 uM NGA C8 H15 N O6 CC(=O)N[C@....
3 4A41 Kd = 591 uM GAL C6 H12 O6 C([C@@H]1[....
4 4A44 - SER A2G n/a n/a
5 2J7M Ka = 1200 M^-1 NDG GAL FUC n/a n/a
6 2J1A Kd = 980 uM GAL C6 H12 O6 C([C@@H]1[....
7 2J1E Ka = 111 M^-1 NDG GAL n/a n/a
8 2V72 Ka = 1360 M^-1 GAL C6 H12 O6 C([C@@H]1[....
9 4P5Y Kd = 0.9 mM NGA C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NDG GAL FUC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NDG GAL FUC; Similar ligands found: 9
No: Ligand Similarity coefficient
1 NDG GAL FUC 1.0000
2 NAG GAL FUC 0.9801
3 GLC GAL FUC 0.9220
4 BGC FUC GAL 0.9214
5 BGC GAL FUC 0.9106
6 NAG FUC GAL 0.8990
7 MAG FUC GAL 0.8936
8 NDG FUC GAL 0.8928
9 MAG SGA FUC 0.8580
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J1E; Ligand: NDG 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: 2j1e.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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