Receptor
PDB id Resolution Class Description Source Keywords
1OW4 1.6 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A PHEROMONE BINDING PROTEIN FROM THE CO LEUCOPHAEA MADERAE IN COMPLEX WITH THE FLUORESCENT REPORTERA NILINONAPHTALENE-8-SULFONIC ACID), PHEROMONE BINDING PROTEIN LEUCOPHAEA MADERAE
Ref.: THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BIND PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE M J.BIOL.CHEM. V. 278 30213 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2AN A:1004;
B:1003;
Valid;
Valid;
none;
none;
Kd = 2.1 uM
299.344 C16 H13 N O3 S c1ccc...
GOL A:1002;
B:1001;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OW4 1.6 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF A PHEROMONE BINDING PROTEIN FROM THE CO LEUCOPHAEA MADERAE IN COMPLEX WITH THE FLUORESCENT REPORTERA NILINONAPHTALENE-8-SULFONIC ACID), PHEROMONE BINDING PROTEIN LEUCOPHAEA MADERAE
Ref.: THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BIND PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE M J.BIOL.CHEM. V. 278 30213 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1P28 Kd = 3.8 uM HBR C4 H8 O2 C[C@H](C(=....
2 1OW4 Kd = 2.1 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2AN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2AN 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OW4; Ligand: 2AN; 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: 1ow4.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OW4; Ligand: 2AN; 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: 1ow4.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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