Receptor
PDB id Resolution Class Description Source Keywords
2QUN 2.06 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF D-TAGATOSE 3-EPIMERASE FROM PSEUDOMONAS CICHORII IN COMPLEX WITH D-FRUCTOSE PSEUDOMONAS CICHORII BETA/ALPHA BARREL ISOMERASE
Ref.: CRYSTAL STRUCTURES OF D-TAGATOSE 3-EPIMERASE FROM PSEUDOMONAS CICHORII AND ITS COMPLEXES WITH D-TAGATOSE AND D-FRUCTOSE J.MOL.BIOL. V. 374 443 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUD A:291;
B:291;
C:291;
D:291;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
MN A:292;
B:292;
C:292;
D:292;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QUN 2.06 Å EC: 5.3.1.- CRYSTAL STRUCTURE OF D-TAGATOSE 3-EPIMERASE FROM PSEUDOMONAS CICHORII IN COMPLEX WITH D-FRUCTOSE PSEUDOMONAS CICHORII BETA/ALPHA BARREL ISOMERASE
Ref.: CRYSTAL STRUCTURES OF D-TAGATOSE 3-EPIMERASE FROM PSEUDOMONAS CICHORII AND ITS COMPLEXES WITH D-TAGATOSE AND D-FRUCTOSE J.MOL.BIOL. V. 374 443 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QUN - FUD C6 H12 O6 C([C@H]([C....
2 2QUM - TAG C6 H12 O6 C([C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QUN - FUD C6 H12 O6 C([C@H]([C....
2 2QUM - TAG C6 H12 O6 C([C@H]([C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3VNJ - PSJ C6 H12 O6 C([C@H]([C....
2 3VNM - SDD C6 H12 O6 C([C@H]([C....
3 3VNK - FUD C6 H12 O6 C([C@H]([C....
4 3VNL - TAG C6 H12 O6 C([C@H]([C....
5 2QUN - FUD C6 H12 O6 C([C@H]([C....
6 2QUM - TAG C6 H12 O6 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUD; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 PSJ 1 1
2 SOL 1 1
3 TAG 1 1
4 LPK 1 1
5 SDD 1 1
6 FUD 1 1
7 RBL 0.551724 0.956522
8 XUL 0.551724 0.956522
9 QDK 0.551724 0.956522
10 TG6 0.5 0.628571
11 F6R 0.5 0.628571
12 3MF 0.432432 0.846154
13 5FX 0.424242 0.88
14 LER 0.413793 0.956522
15 CS2 0.411765 0.913043
16 GCO 0.411765 0.913043
17 I22 0.404762 0.628571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QUN; Ligand: FUD; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 2qun.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ULE GLA GAL NAG 0.009033 0.42173 None
2 1DE6 RNS 0.0003773 0.47002 1.72414
3 1M3U KPL 0.008734 0.4152 2.65152
4 4UEC MGT 0.002461 0.44569 2.71739
5 4RW3 IPD 0.008855 0.4149 2.75862
6 1O68 KIV 0.007461 0.42339 2.90909
7 2C91 TLA 0.01315 0.41658 3.10345
8 2OVW CBI 0.01636 0.40619 3.10345
9 5T48 MGP 0.01592 0.40376 3.125
10 3A23 GAL 0.01692 0.40544 3.44828
11 2XMY CDK 0.02149 0.42436 4.82759
12 1VJ7 GPX 0.01687 0.40288 5.51724
13 1L5Y BEF 0.004328 0.44432 9.67742
14 2OS2 OGA 0.02281 0.40103 10
15 5T46 MGP 0.009155 0.40824 10.3448
16 4PTN GXV 0.01993 0.40429 11.0345
17 3DX5 DHB 0.001449 0.44797 13.2867
18 4PMZ BXP 0.01622 0.40828 13.4483
19 3L8H FX1 0.007674 0.41625 14.5251
20 1EJH M7G 0.009665 0.40862 15.7895
21 1XIM XYL 0.000368 0.4413 27.931
22 5BXV MGP 0.008933 0.41641 34.0909
23 5H1W LER 0.00000001773 0.73158 39.3103
24 2V8W MGO 0.01514 0.40789 42.8571
Pocket No.: 2; Query (leader) PDB : 2QUN; Ligand: FUD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2qun.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2QUN; Ligand: FUD; Similar sites found: 10
This union binding pocket(no: 3) in the query (biounit: 2qun.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5E1Q LAT GLA 0.01994 0.40183 2.06897
2 5JSP DQY 0.01352 0.41163 2.48756
3 3KB6 LAC 0.02884 0.40069 2.75862
4 5B19 TLA 0.01234 0.40783 3.01724
5 3BPX SAL 0.0228 0.40353 4.05405
6 4B1L FRU 0.02107 0.40098 4.84848
7 4DNJ ANN 0.01977 0.40152 5.17241
8 2YBP 2HG 0.02336 0.40013 10
9 2QS8 MET 0.00864 0.41543 10.3448
10 1X8D RNS 0.01204 0.41464 30.7692
Pocket No.: 4; Query (leader) PDB : 2QUN; Ligand: FUD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2qun.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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