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 10 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 8 families.
1 3D1R - FBP C6 H14 O12 P2 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 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 FBP 1 1
2 AFP 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: 29
This union binding pocket(no: 1) in the query (biounit: 3d1r.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1V5F FAD 0.04128 0.41706 1.78042
2 3CTL S6P 0.003939 0.42685 2.1645
3 1YXM ADE 0.003888 0.43059 2.31023
4 3WLE NAD 0.03528 0.40217 2.37389
5 1IMB LIP 0.005151 0.41506 2.52708
6 2BRY FAD 0.02365 0.4079 2.67062
7 3QWI CUE 0.0447 0.40139 2.96296
8 2DFV NAD 0.008853 0.42302 2.96736
9 1P0F NAP 0.008817 0.42821 3.2641
10 2YYY NAP 0.02199 0.40484 3.85757
11 2NVK FAD 0.04026 0.40376 3.85757
12 4UP4 GAL NAG 0.02036 0.40851 4.45104
13 4FWE FAD 0.01975 0.42151 4.74777
14 3MBC NAP 0.0133 0.4154 5.04451
15 1LBZ FBP 0.0008825 0.46154 5.15873
16 5UKL SIX 0.01732 0.40736 5.93472
17 1UGW GAL 0.008458 0.42584 6.01504
18 1JAC AMG 0.01047 0.42449 6.01504
19 1UGY GLA GLC 0.00946 0.42112 6.01504
20 1KUJ MMA 0.01109 0.41673 6.01504
21 1UGY GLA BGC 0.01014 0.4161 6.01504
22 3GDN FAD 0.01144 0.43375 6.23145
23 1G0N PHH 0.04532 0.40108 6.36042
24 2P3V SRT 0.01518 0.40888 7.03125
25 1T26 NAI 0.04479 0.40217 9.62733
26 1KOL NAD 0.01439 0.42199 9.799
27 1E6E FAD 0.03517 0.40224 12.5
28 4J1Q NDP 0.01732 0.40869 16.9139
29 1JOT GAL A2G 0.01521 0.41069 45
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