Receptor
PDB id Resolution Class Description Source Keywords
2UVH 2.2 Å NON-ENZYME: BINDING STRUCTURE OF A PERIPLASMIC OLIGOGALACTURONIDE BINDING PROTEI YERSINIA ENTEROCOLITICA IN COMPLEX WITH SATURATED DIGALACTU YERSINIA ENTEROCOLITICA YERSINIA ENTEROCOLITICA PERIPLASMIC BINDING PROTEIN TOGB DEGRADATION DIGALACTURONIC ACID SUGAR-BINDING PROTEIN SUBINDING PROTEIN
Ref.: SPECIFIC RECOGNITION OF SATURATED AND 4,5-UNSATURAT HEXURONATE SUGARS BY A PERIPLASMIC BINDING PROTEIN IN PECTIN CATABOLISM. J.MOL.BIOL. V. 369 759 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADA ADA B:1;
 Valid;
 none;
 Kd = 84.4 uM
368.247 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UVJ 1.8 Å NON-ENZYME: BINDING STRUCTURE OF A PERIPLASMIC OLIGOGALACTURONIDE BINDING PROTEI YERSINIA ENTEROCOLITICA IN COMPLEX WITH TRIGALACTURONIC ACI YERSINIA ENTEROCOLITICA YERSINIA ENTEROCOLITICA PERIPLASMIC BINDING PROTEIN TOGB DEGRADATION TRIGALACTURONIC ACID SUGAR-BINDING PROTEIN SBINDING PROTEIN
Ref.: SPECIFIC RECOGNITION OF SATURATED AND 4,5-UNSATURAT HEXURONATE SUGARS BY A PERIPLASMIC BINDING PROTEIN IN PECTIN CATABOLISM. J.MOL.BIOL. V. 369 759 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2UVI Kd = 310.5 uM ADA AQA n/a n/a
2 2UVJ Kd = 5.3 uM ADA ADA ADA n/a n/a
3 2UVH Kd = 84.4 uM ADA ADA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2UVI Kd = 310.5 uM ADA AQA n/a n/a
2 2UVJ Kd = 5.3 uM ADA ADA ADA n/a n/a
3 2UVH Kd = 84.4 uM ADA ADA n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2UVI Kd = 310.5 uM ADA AQA n/a n/a
2 2UVJ Kd = 5.3 uM ADA ADA ADA n/a n/a
3 2UVH Kd = 84.4 uM ADA ADA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADA ADA; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA ADA 1 1
2 ADA ADA ADA ADA ADA 0.918367 0.966667
3 ADA ADA ADA ADA ADA ADA 0.918367 0.966667
4 ADA ADA ADA ADA 0.918367 0.966667
5 ADA M8C M8C M8C M8C ADA 0.775862 0.878788
6 ADA M8C M8C M8C ADA ADA 0.75 0.878788
7 ADA ADA ADA ADA ADA M8C 0.683333 0.90625
8 ADA ADA ADA ADA M8C M8C 0.630769 0.878788
9 M8C ADA ADA ADA ADA M8C 0.6 0.878788
10 ADA AQA 0.59322 0.90625
11 GTR RAM GTR RAM GTR RAM 0.590909 0.90625
12 LGU MAV BEM 0.587302 0.878788
13 M8C ADA ADA ADA M8C M8C 0.58209 0.878788
14 ADA ADA ADA 0.5625 0.828571
15 MAV LGU MAV BEM 0.536232 0.90625
16 GCU MAV MAW 0.536232 0.90625
17 LGU MAW 0.492308 0.935484
18 NAG BDP 0.463768 0.617021
19 RAM ADA RAM 0.455882 0.870968
20 XYP GCU 0.4375 0.710526
21 GTR RAM AQA 0.410256 0.90625
22 GCU BGC 0.409091 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: ADA ADA; Similar ligands found: 9
No: Ligand Similarity coefficient
1 GTR ADA 0.9635
2 GLA GLA 0.9511
3 GAL GLA 0.9506
4 GTR AQA 0.9458
5 EGA GLA 0.8972
6 GLC GLC 0.8876
7 BQZ 0.8823
8 GLC FRU 0.8733
9 J72 0.8558
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UVJ; Ligand: ADA ADA ADA; 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: 2uvj.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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