Receptor
PDB id Resolution Class Description Source Keywords
3M4E 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE M113N MUTANT OF ALPHA-HEMOLYSIN BOU BETA-CYCLODEXTRIN STAPHYLOCOCCUS AUREUS BETA BARREL CYTOLYTIC PROTEIN CYTOLYSIS HEMOLYSIS SECRETTOXIN CELL INVASION
Ref.: MOLECULAR BASES OF CYCLODEXTRIN ADAPTER INTERACTION ENGINEERED PROTEIN NANOPORES. PROC.NATL.ACAD.SCI.USA V. 107 8165 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC GLC GLC GLC GLC H:1;
Valid;
none;
submit data
1134.99 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3M3R 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE M113F ALPHA-HEMOLYSIN MUTANT COMPLE BETA-CYCLODEXTRIN STAPHYLOCOCCUS AUREUS BETA BARREL CYTOLYTIC PROTEIN CYTOLYSIS HEMOLYSIS SECRETTOXIN CELL INVASION
Ref.: MOLECULAR BASES OF CYCLODEXTRIN ADAPTER INTERACTION ENGINEERED PROTEIN NANOPORES. PROC.NATL.ACAD.SCI.USA V. 107 8165 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3M3R Kd = 0.000000064 M GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 6U49 - PQJ C19 H43 N O4 P CCCCCCCCCC....
3 3M4E - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 6U4P - PQJ C19 H43 N O4 P CCCCCCCCCC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3M3R Kd = 0.000000064 M GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 6U49 - PQJ C19 H43 N O4 P CCCCCCCCCC....
3 3M4E - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 6U4P - PQJ C19 H43 N O4 P CCCCCCCCCC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3M3R Kd = 0.000000064 M GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 6U49 - PQJ C19 H43 N O4 P CCCCCCCCCC....
3 3M4E - GLC GLC GLC GLC GLC GLC GLC n/a n/a
4 6U4P - PQJ C19 H43 N O4 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC; 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 : 3M3R; Ligand: GLC GLC GLC GLC GLC GLC GLC; 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: 3m3r.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3M3R; Ligand: GLC GLC GLC GLC GLC GLC GLC; 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: 3m3r.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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