Receptor
PDB id Resolution Class Description Source Keywords
1C81 2.5 Å EC: 3.1.3.46 MICHAELIS COMPLEX OF FRUCTOSE-2,6-BISPHOSPHATASE RATTUS NORVEGICUS ROSSMANN FOLD HYDROLASE
Ref.: REACTION MECHANISM OF FRUCTOSE-2,6-BISPHOSPHATASE S BY THE CRYSTAL STRUCTURES OF A PSEUDO-MICHAELIS COM METABOLITE COMPLEXES TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FDQ A:441;
 Valid;
 none;
 submit data
308.117 C6 H14 O10 P2 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TIP 2.2 Å EC: 3.1.3.46 THE BISPHOSPHATASE DOMAIN OF THE BIFUNCTIONAL RAT LIVER 6- PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE RATTUS NORVEGICUS MULTIFUNCTIONAL ENZYME TRANSFERASE KINASE ATP-BINDING PHOSPHORYLATION ALTERNATIVE SPLICING MULTIGENE FAMILY HY
Ref.: CRYSTAL STRUCTURE OF A TRAPPED PHOSPHOENZYME DURING CATALYTIC REACTION. NAT.STRUCT.BIOL. V. 4 615 1997
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1C80 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 1C81 - FDQ C6 H14 O10 P2 C([C@@H]1[....
3 1TIP - F6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1C80 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 1C81 - FDQ C6 H14 O10 P2 C([C@@H]1[....
3 1TIP - F6P C6 H13 O9 P C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1C80 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 1C81 - FDQ C6 H14 O10 P2 C([C@@H]1[....
3 1TIP - F6P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FDQ; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 FDQ 1 1
2 AHG 0.722222 0.97561
3 GRF 0.55814 0.698113
4 RP5 0.547619 0.860465
5 HSX 0.547619 0.860465
6 ABF 0.547619 0.860465
7 G6P 0.511111 0.777778
8 M6P 0.511111 0.777778
9 BG6 0.511111 0.777778
10 M6D 0.511111 0.777778
11 A6P 0.511111 0.777778
12 BGP 0.511111 0.777778
13 YO5 0.5 0.822222
14 GPM 0.5 0.822222
15 RI2 0.479167 0.904762
16 D6G 0.479167 0.822222
17 50A 0.478261 0.765957
18 RF5 0.478261 0.765957
19 GLP 0.469388 0.660377
20 4R1 0.469388 0.660377
21 PPC 0.45283 0.909091
22 NNG 0.45283 0.660714
23 G16 0.45098 0.782609
24 16G 0.444444 0.631579
25 4QY 0.444444 0.631579
26 BMX 0.444444 0.631579
27 PRP 0.425926 0.883721
28 N 0.425532 0.952381
29 JVA 0.408163 0.755102
30 FGR 0.4 0.689655
Similar Ligands (3D)
Ligand no: 1; Ligand: FDQ; Similar ligands found: 13
No: Ligand Similarity coefficient
1 GAR 0.9195
2 IRN 0.9072
3 AFP 0.9025
4 AIR 0.8918
5 HKK 0.8879
6 FBP 0.8871
7 IR9 0.8859
8 S62 0.8705
9 UN3 0.8634
10 SGN 0.8633
11 D8X 0.8627
12 108 0.8590
13 EZL 0.8542
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TIP; Ligand: F6P; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1tip.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4IJ6 SEP 42.4084
2 4IJ6 SEP 42.4084
Pocket No.: 2; Query (leader) PDB : 1TIP; Ligand: F6P; 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: 1tip.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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