Receptor
PDB id Resolution Class Description Source Keywords
2wcm 1.5 Å NON-ENZYME: BINDING STRUCTURE OF BMORI GOBP2 (GENERAL ODORANT BINDING PROTEIN 2) WITH (10E)-HEXADECEN-12-YN-1-OL BOMBYX MORI ODORANT BINDING PROTEIN TRANSPORT PROTEIN OLFACTION TRANSPORT DISULFIDE BOND INSECT PHEREMONE SENSORY TRANSDUCTION
Ref.: CHARACTERISATION OF BOMBYX MORI ODORANT-BINDING PROTEINS REVEALS THAT A GENERAL ODORANT-BINDING PROTEIN DISCRIMINATES BETWEEN SEX PHEROMONE COMPONENTS. J.MOL.BIOL. V. 389 529 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B9M A:1143;
 Valid;
 none;
 submit data
236.393 C16 H28 O CCCC#...
MG A:1142;
A:1144;
 Invalid;
Invalid;
 none;
none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WCJ 1.4 Å NON-ENZYME: BINDING STRUCTURE OF BMORI GOBP2 (GENERAL ODORANT BINDING PROTEIN 2) WITH (10E,12Z)-TETRADECADIEN-1-OL BOMBYX MORI ODORANT BINDING PROTEIN TRANSPORT PROTEIN OLFACTION TRANSPORT DISULFIDE BOND INSECT PHEREMONE SENSORY TRANSDUCTION
Ref.: CHARACTERISATION OF BOMBYX MORI ODORANT-BINDING PROTEINS REVEALS THAT A GENERAL ODORANT-BINDING PROTEIN DISCRIMINATES BETWEEN SEX PHEROMONE COMPONENTS. J.MOL.BIOL. V. 389 529 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2WC5 - BOM C16 H30 O CCCC=C/C=C....
2 2WCH - B7M C16 H28 O CCCC=C/C=C....
3 2WC6 - BOM C16 H30 O CCCC=C/C=C....
4 2WCM - B9M C16 H28 O CCCC#CC=CC....
5 2WCJ - M21 C14 H26 O CC=C/C=C/C....
6 2WCL - B8M C16 H30 O CCCCCC=C/C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2WC5 - BOM C16 H30 O CCCC=C/C=C....
2 2WCH - B7M C16 H28 O CCCC=C/C=C....
3 2WC6 - BOM C16 H30 O CCCC=C/C=C....
4 2WCM - B9M C16 H28 O CCCC#CC=CC....
5 2WCJ - M21 C14 H26 O CC=C/C=C/C....
6 2WCL - B8M C16 H30 O CCCCCC=C/C....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1DQE - BOM C16 H30 O CCCC=C/C=C....
2 2P70 - PRZ C9 H14 N2 O CC(C)Cc1c(....
3 2P71 - IHD C16 H33 I CCCCCCCCCC....
4 4INW - 1EY C16 H28 O CC/C=CC=C/....
5 4INX - 1EX C16 H30 O CC/C=CC=C/....
6 2WC5 - BOM C16 H30 O CCCC=C/C=C....
7 2WCH - B7M C16 H28 O CCCC=C/C=C....
8 2WC6 - BOM C16 H30 O CCCC=C/C=C....
9 2WCM - B9M C16 H28 O CCCC#CC=CC....
10 2WCJ - M21 C14 H26 O CC=C/C=C/C....
11 2WCL - B8M C16 H30 O CCCCCC=C/C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: B9M; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 B9M 1 1
2 B8M 0.446809 0.875
3 BOM 0.4375 0.954545
4 1EX 0.408163 0.909091
Similar Ligands (3D)
Ligand no: 1; Ligand: B9M; Similar ligands found: 1
No: Ligand Similarity coefficient
1 B7M 0.8617
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WCJ; Ligand: M21; 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: 2wcj.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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