Receptor
PDB id Resolution Class Description Source Keywords
3D78 1.6 Å NON-ENZYME: BINDING DIMERIC CRYSTAL STRUCTURE OF A PHEROMONE BINDING PROTEIN MUTANT D35N, FROM APIS MELLIFERA, AT PH 7.0 APIS MELLIFERA PHEROMONE BINDING PROTEIN HONEY BEE APIS MELLIFERA SIGNALTRANSDUCTION QUEEN MANDIBULAR PROTEIN PH
Ref.: QUEEN BEE PHEROMONE BINDING PROTEIN PH-INDUCED DOMAIN SWAPPING FAVORS PHEROMONE RELEASE J.MOL.BIOL. V. 390 981 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:121;
A:122;
A:123;
A:124;
A:125;
B:122;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NBB A:120;
B:120;
B:121;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 23 nM
213.297 C10 H15 N O2 S CCCCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D78 1.6 Å NON-ENZYME: BINDING DIMERIC CRYSTAL STRUCTURE OF A PHEROMONE BINDING PROTEIN MUTANT D35N, FROM APIS MELLIFERA, AT PH 7.0 APIS MELLIFERA PHEROMONE BINDING PROTEIN HONEY BEE APIS MELLIFERA SIGNALTRANSDUCTION QUEEN MANDIBULAR PROTEIN PH
Ref.: QUEEN BEE PHEROMONE BINDING PROTEIN PH-INDUCED DOMAIN SWAPPING FAVORS PHEROMONE RELEASE J.MOL.BIOL. V. 390 981 2009
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3BFB - 9OD C10 H16 O3 CC(=O)CCCC....
2 3D78 Kd = 23 nM NBB C10 H15 N O2 S CCCCNS(=O)....
3 3D74 - NBB C10 H15 N O2 S CCCCNS(=O)....
4 3CYZ Kd = 60 nM 9OD C10 H16 O3 CC(=O)CCCC....
5 3D75 - NBB C10 H15 N O2 S CCCCNS(=O)....
6 3BFH - PLM C16 H32 O2 CCCCCCCCCC....
7 3D76 Kd = 23 nM NBB C10 H15 N O2 S CCCCNS(=O)....
8 3BFA - 9OD C10 H16 O3 CC(=O)CCCC....
9 3D77 - NBB C10 H15 N O2 S CCCCNS(=O)....
10 3BJH - NBB C10 H15 N O2 S CCCCNS(=O)....
11 3CZ0 Kd = 60 nM 9OD C10 H16 O3 CC(=O)CCCC....
12 3CZ1 Kd = 55 nM NBB C10 H15 N O2 S CCCCNS(=O)....
13 3D73 - NBB C10 H15 N O2 S CCCCNS(=O)....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3BFB - 9OD C10 H16 O3 CC(=O)CCCC....
2 3D78 Kd = 23 nM NBB C10 H15 N O2 S CCCCNS(=O)....
3 3D74 - NBB C10 H15 N O2 S CCCCNS(=O)....
4 3CYZ Kd = 60 nM 9OD C10 H16 O3 CC(=O)CCCC....
5 3D75 - NBB C10 H15 N O2 S CCCCNS(=O)....
6 3BFH - PLM C16 H32 O2 CCCCCCCCCC....
7 3D76 Kd = 23 nM NBB C10 H15 N O2 S CCCCNS(=O)....
8 3BFA - 9OD C10 H16 O3 CC(=O)CCCC....
9 3D77 - NBB C10 H15 N O2 S CCCCNS(=O)....
10 3BJH - NBB C10 H15 N O2 S CCCCNS(=O)....
11 3CZ0 Kd = 60 nM 9OD C10 H16 O3 CC(=O)CCCC....
12 3CZ1 Kd = 55 nM NBB C10 H15 N O2 S CCCCNS(=O)....
13 3D73 - NBB C10 H15 N O2 S CCCCNS(=O)....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3BFB - 9OD C10 H16 O3 CC(=O)CCCC....
2 3D78 Kd = 23 nM NBB C10 H15 N O2 S CCCCNS(=O)....
3 3D74 - NBB C10 H15 N O2 S CCCCNS(=O)....
4 3CYZ Kd = 60 nM 9OD C10 H16 O3 CC(=O)CCCC....
5 3D75 - NBB C10 H15 N O2 S CCCCNS(=O)....
6 3BFH - PLM C16 H32 O2 CCCCCCCCCC....
7 3D76 Kd = 23 nM NBB C10 H15 N O2 S CCCCNS(=O)....
8 3BFA - 9OD C10 H16 O3 CC(=O)CCCC....
9 3D77 - NBB C10 H15 N O2 S CCCCNS(=O)....
10 3BJH - NBB C10 H15 N O2 S CCCCNS(=O)....
11 3CZ0 Kd = 60 nM 9OD C10 H16 O3 CC(=O)CCCC....
12 3CZ1 Kd = 55 nM NBB C10 H15 N O2 S CCCCNS(=O)....
13 3D73 - NBB C10 H15 N O2 S CCCCNS(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NBB; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 NBB 1 1
2 GG8 0.522727 0.823529
3 HS7 0.416667 0.645161
4 A09 0.4 0.607143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3D78; Ligand: NBB; 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: 3d78.bio3) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3D78; Ligand: NBB; 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: 3d78.bio3) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3D78; Ligand: NBB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3d78.bio2) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3D78; Ligand: NBB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3d78.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3D78; Ligand: NBB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3d78.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3D78; Ligand: NBB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3d78.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback