Receptor
PDB id Resolution Class Description Source Keywords
3VK5 1.39 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MOEO5 IN COMPLEX WITH ITS PRODUCT FPG 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 B:800;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
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 1610 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 1331 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 1144 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 (2D)
Ligand no: 1; Ligand: FPQ; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 FPQ 1 1
2 C0X 0.766667 0.913043
3 0K3 0.648148 0.782609
4 DSL 0.648148 0.782609
5 FJP 0.648148 0.8
6 HZZ 0.592593 0.777778
7 OTP 0.539683 0.808511
8 GRG 0.539683 0.826087
9 VTP 0.539683 0.808511
10 FPP 0.539683 0.826087
11 ZTP 0.539683 0.808511
12 FII 0.5 0.683333
13 GPP 0.47619 0.804348
14 FFF 0.430556 0.77551
15 FPS 0.426471 0.734694
16 GGS 0.426471 0.734694
17 FHP 0.421875 0.73913
18 MGM 0.407895 0.745455
19 Q5S 0.406593 0.656716
20 C30 0.406593 0.656716
21 FGG 0.405405 0.77551
Similar Ligands (3D)
Ligand no: 1; Ligand: FPQ; 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 : 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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