Receptor
PDB id Resolution Class Description Source Keywords
3VKC 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MOEO5 SOAKED WITH PYROPHOSPHATE STREPTOMYCES GHANAENSIS TIM BARREL TRANSFERASE
Ref.: INSIGHTS INTO THE MECHANISM OF THE ANTIBIOTIC-SYNTH ENZYME MOEO5 FROM CRYSTAL STRUCTURES OF DIFFERENT C ANGEW.CHEM.INT.ED.ENGL. V. 51 4157 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FPQ A:900;
B:900;
Valid;
Valid;
none;
none;
submit data
390.408 C18 H31 O7 P CC(=C...
MG A:700;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
POP B:800;
Invalid;
none;
submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VKC 1.66 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MOEO5 SOAKED WITH PYROPHOSPHATE STREPTOMYCES GHANAENSIS TIM BARREL TRANSFERASE
Ref.: INSIGHTS INTO THE MECHANISM OF THE ANTIBIOTIC-SYNTH ENZYME MOEO5 FROM CRYSTAL STRUCTURES OF DIFFERENT C ANGEW.CHEM.INT.ED.ENGL. V. 51 4157 2012
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3VKC - FPQ C18 H31 O7 P CC(=CCC/C(....
2 3VK5 - FPQ C18 H31 O7 P CC(=CCC/C(....
3 3VKB - FPS C15 H28 O6 P2 S CC(=CCC/C(....
4 3VKA - FPQ C18 H31 O7 P CC(=CCC/C(....
5 3VKD - FPQ C18 H31 O7 P CC(=CCC/C(....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3VKC - FPQ C18 H31 O7 P CC(=CCC/C(....
2 3VK5 - FPQ C18 H31 O7 P CC(=CCC/C(....
3 3VKB - FPS C15 H28 O6 P2 S CC(=CCC/C(....
4 3VKA - FPQ C18 H31 O7 P CC(=CCC/C(....
5 3VKD - FPQ C18 H31 O7 P CC(=CCC/C(....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3VKC - FPQ C18 H31 O7 P CC(=CCC/C(....
2 3VK5 - FPQ C18 H31 O7 P CC(=CCC/C(....
3 3VKB - FPS C15 H28 O6 P2 S CC(=CCC/C(....
4 3VKA - FPQ C18 H31 O7 P CC(=CCC/C(....
5 3VKD - FPQ C18 H31 O7 P CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FPQ; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FPQ 1 1
2 DSL 0.648148 0.782609
3 FJP 0.648148 0.8
4 0K3 0.648148 0.782609
5 GRG 0.539683 0.826087
6 FPP 0.539683 0.826087
7 VTP 0.539683 0.808511
8 OTP 0.539683 0.808511
9 ZTP 0.539683 0.808511
10 FII 0.5 0.683333
11 GPP 0.47619 0.804348
12 FFF 0.430556 0.77551
13 GGS 0.426471 0.734694
14 FPS 0.426471 0.734694
15 FHP 0.421875 0.73913
16 MGM 0.407895 0.745455
17 C30 0.406593 0.656716
18 FGG 0.405405 0.77551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VKC; Ligand: FPQ; 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: 3vkc.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VKC; Ligand: FPQ; 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: 3vkc.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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