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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: 86
This union binding pocket(no: 1) in the query (biounit: 3d1r.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4M00 SUC 1.66359
2 1V5F TPP 1.78042
3 1V5F FAD 1.78042
4 4UTG ANP 1.78042
5 3CTL S6P 2.1645
6 1YXM ADE 2.31023
7 2UVF AD0 2.37389
8 3WLE NAD 2.37389
9 6GIU L69 2.52708
10 4RF2 NAP 2.57353
11 2BRY FAD 2.67062
12 4TXI FAD 2.67062
13 6F5W KG1 2.67062
14 1SOW NAD 2.7439
15 6EQS BV8 2.90909
16 3QWI CUE 2.96296
17 2DFV NAD 2.96736
18 1EWK GLU 2.96736
19 1G0H IPD 3.1746
20 1P0F NAP 3.2641
21 1E1M NAP 3.2641
22 1E1M FAD 3.2641
23 2VVM FAD 3.2641
24 3GFB NAD 3.2641
25 2O07 MTA 3.28947
26 2O07 SPD 3.28947
27 3N8K D1X 3.48837
28 5TTJ FAD 3.85757
29 2YYY NAP 3.85757
30 2NVK FAD 3.85757
31 3LZW FAD 3.91566
32 6CI9 NAP 4.2471
33 4UP4 GAL NAG 4.45104
34 1L7N ALF 4.73934
35 4GUT FAD 4.74777
36 4FWE FAD 4.74777
37 1D1T NAD 4.74777
38 4YNU LGC 5.04451
39 3MBC NAP 5.04451
40 4HA6 FAD 5.04451
41 1H82 FAD 5.04451
42 1LBZ FBP 5.15873
43 2VVL FAD 5.63798
44 2FZW NAD 5.63798
45 5UKL SIX 5.93472
46 1U3U BNF 5.93472
47 1U3U NAD 5.93472
48 1TOQ AMG 6.01504
49 4AKB GAL 6.01504
50 1UGW GAL 6.01504
51 1JAC AMG 6.01504
52 1UGY GLA GLC 6.01504
53 1WS4 AMG 6.01504
54 1KUJ MMA 6.01504
55 1UGY GLA BGC 6.01504
56 1WS4 GYP 6.01504
57 1WS5 MMA 6.01504
58 1M26 GAL A2G 6.01504
59 5EQ8 HSO 6.13718
60 3GDN FAD 6.23145
61 1UWK NAD 6.23145
62 1UWK URO 6.23145
63 1G0N NDP 6.36042
64 1G0N PHH 6.36042
65 4Y4V DAL 6.52819
66 1CDO NAD 6.52819
67 3GGO NAI 6.6879
68 2I7C AAT 6.71378
69 2C1X UDP 6.79825
70 2P3V SRT 7.03125
71 2YIP YIO 7.24638
72 5EYG NAP 8.30189
73 4PLT OXM 8.76133
74 4PLT NAI 8.76133
75 5KF6 FAD 8.90208
76 1T26 GBD 9.62733
77 1T26 NAI 9.62733
78 1KOL NAD 9.799
79 2A92 NAI 9.96885
80 5G5G FAD 10.917
81 6AMI TRP 10.9792
82 5DJH AMP 11.8056
83 1E6E FAD 12.5
84 4J1Q NDP 16.9139
85 5EIN NAP 18.5185
86 1JOT GAL A2G 45
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