Receptor
PDB id Resolution Class Description Source Keywords
6O0F 2.12 Å NON-ENZYME: OTHER SAXIPHILIN:STX COMPLEX, CO-CRYSTAL LITHOBATES CATESBEIANA SAXITOXIN PARALYTIC SHELLFISH POISONING ANTITOXIN
Ref.: STRUCTURE OF THE SAXIPHILIN:SAXITOXIN (STX) COMPLEX A CONVERGENT MOLECULAR RECOGNITION STRATEGY FOR PAR TOXINS. SCI ADV V. 5 X2650 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9SL A:901;
B:901;
 Valid;
Valid;
 none;
none;
 Kd = 0.2 nM
299.286 C10 H17 N7 O4 C1CN2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6O0F 2.12 Å NON-ENZYME: OTHER SAXIPHILIN:STX COMPLEX, CO-CRYSTAL LITHOBATES CATESBEIANA SAXITOXIN PARALYTIC SHELLFISH POISONING ANTITOXIN
Ref.: STRUCTURE OF THE SAXIPHILIN:SAXITOXIN (STX) COMPLEX A CONVERGENT MOLECULAR RECOGNITION STRATEGY FOR PAR TOXINS. SCI ADV V. 5 X2650 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6O0E Kd = 0.2 nM 9SL C10 H17 N7 O4 C1CN2C(=N[....
2 6O0F Kd = 0.2 nM 9SL C10 H17 N7 O4 C1CN2C(=N[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6O0E Kd = 0.2 nM 9SL C10 H17 N7 O4 C1CN2C(=N[....
2 6O0F Kd = 0.2 nM 9SL C10 H17 N7 O4 C1CN2C(=N[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6O0E Kd = 0.2 nM 9SL C10 H17 N7 O4 C1CN2C(=N[....
2 6O0F Kd = 0.2 nM 9SL C10 H17 N7 O4 C1CN2C(=N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9SL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9SL 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 9SL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 U5A 0.9333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6O0F; Ligand: 9SL; 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: 6o0f.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6O0F; Ligand: 9SL; 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: 6o0f.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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