Receptor
PDB id Resolution Class Description Source Keywords
3D1R 1.85 Å EC: 3.1.3.11 STRUCTURE OF E. COLI GLPX WITH ITS SUBSTRATE FRUCTOSE 1,6-BI ESCHERICHIA COLI FRUCTOSE-1 6-BISPHOSPHATASE 6-BISPHOSPHATE CARBOHYDRATE METABOLISM HYDROLASE MANGANESE STRUCTURAL GENOMICS PSI-PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURALGENOMICS MCSG
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE FRUCTOSE-1,6-BISPHOSPHATASE GLPX FROM ESCHERICHIA C J.BIOL.CHEM. V. 284 3784 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:337;
A:3500;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:3503;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FBP A:3499;
Valid;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
MG A:3502;
A:3504;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D1R 1.85 Å EC: 3.1.3.11 STRUCTURE OF E. COLI GLPX WITH ITS SUBSTRATE FRUCTOSE 1,6-BI ESCHERICHIA COLI FRUCTOSE-1 6-BISPHOSPHATASE 6-BISPHOSPHATE CARBOHYDRATE METABOLISM HYDROLASE MANGANESE STRUCTURAL GENOMICS PSI-PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURALGENOMICS MCSG
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE FRUCTOSE-1,6-BISPHOSPHATASE GLPX FROM ESCHERICHIA C J.BIOL.CHEM. V. 284 3784 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3D1R - FBP C6 H14 O12 P2 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3D1R - FBP C6 H14 O12 P2 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 6 families.
1 6AYV - F6P C6 H13 O9 P C([C@@H]1[....
2 6AYU - MLI C3 H2 O4 C(C(=O)[O-....
3 3D1R - FBP C6 H14 O12 P2 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FBP; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 AFP 1 1
2 FBP 1 1
3 F1X 0.744186 0.954545
4 TA6 0.666667 0.954545
5 F6P 0.666667 0.954545
6 FDP 0.462963 0.954545
7 OI7 0.448276 0.976744
8 F1P 0.418182 0.847826
9 AHG 0.404255 0.930233
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3D1R; Ligand: FBP; 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: 3d1r.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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