Receptor
PDB id Resolution Class Description Source Keywords
1POC 2 Å EC: 3.1.1.4 CRYSTAL STRUCTURE OF BEE-VENOM PHOSPHOLIPASE A2 IN A COMPLEX TRANSITION-STATE ANALOGUE APIS MELLIFERA HYDROLASE
Ref.: CRYSTAL STRUCTURE OF BEE-VENOM PHOSPHOLIPASE A2 IN WITH A TRANSITION-STATE ANALOGUE. SCIENCE V. 250 1563 1990
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:501;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GEL A:420;
Valid;
none;
submit data
489.521 C20 H45 N O8 P2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1POC 2 Å EC: 3.1.1.4 CRYSTAL STRUCTURE OF BEE-VENOM PHOSPHOLIPASE A2 IN A COMPLEX TRANSITION-STATE ANALOGUE APIS MELLIFERA HYDROLASE
Ref.: CRYSTAL STRUCTURE OF BEE-VENOM PHOSPHOLIPASE A2 IN WITH A TRANSITION-STATE ANALOGUE. SCIENCE V. 250 1563 1990
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1POC - GEL C20 H45 N O8 P2 CCCCCCCCOC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1POC - GEL C20 H45 N O8 P2 CCCCCCCCOC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1POC - GEL C20 H45 N O8 P2 CCCCCCCCOC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GEL; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 GEL 1 1
2 LPE 0.454545 0.821429
3 MJI 0.435897 0.703704
4 GLE 0.435897 0.703704
5 PEV 0.421687 0.942308
6 PEH 0.421687 0.942308
7 PTY 0.421687 0.942308
8 8PE 0.421687 0.942308
9 PEF 0.421687 0.942308
10 3PE 0.421687 0.942308
11 9PE 0.416667 0.942308
Similar Ligands (3D)
Ligand no: 1; Ligand: GEL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1POC; Ligand: GEL; 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: 1poc.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1POC; Ligand: GEL; 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: 1poc.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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