Receptor
PDB id Resolution Class Description Source Keywords
5ET3 1.67 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DE NOVO DESIGNED FULLERENE ORGANIZING P SYNTHETIC CONSTRUCT DE NOVO PROTEIN FULLERENE COMPLEX HELICAL ASSEMBLY
Ref.: PROTEIN-DIRECTED SELF-ASSEMBLY OF A FULLERENE CRYST NAT COMMUN V. 7 11429 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
60C A:101;
Valid;
none;
submit data
720.642 C60 c12c3...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ET3 1.67 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DE NOVO DESIGNED FULLERENE ORGANIZING P SYNTHETIC CONSTRUCT DE NOVO PROTEIN FULLERENE COMPLEX HELICAL ASSEMBLY
Ref.: PROTEIN-DIRECTED SELF-ASSEMBLY OF A FULLERENE CRYST NAT COMMUN V. 7 11429 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5HKN - 60C C60 c12c3c4c5c....
2 5ET3 - 60C C60 c12c3c4c5c....
3 5HKR - 60C C60 c12c3c4c5c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5HKN - 60C C60 c12c3c4c5c....
2 5ET3 - 60C C60 c12c3c4c5c....
3 5HKR - 60C C60 c12c3c4c5c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5HKN - 60C C60 c12c3c4c5c....
2 5ET3 - 60C C60 c12c3c4c5c....
3 5HKR - 60C C60 c12c3c4c5c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 60C; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 60C 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ET3; Ligand: 60C; 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: 5et3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5ET3; Ligand: 60C; 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: 5et3.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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