Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADA ADA ADA B:1;
Valid;
none;
Kd = 5.3 uM
527.364 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 ADA; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA ADA ADA 1 1
2 ADA ADA ADA ADA ADA ADA 0.625 0.857143
3 ADA ADA ADA ADA ADA 0.625 0.857143
4 ADA ADA ADA ADA 0.625 0.857143
5 ADA ADA 0.5625 0.828571
6 ADA M8C M8C M8C ADA ADA 0.533333 0.789474
7 ADA M8C M8C M8C M8C ADA 0.506667 0.789474
8 ADA ADA ADA ADA ADA M8C 0.48 0.810811
9 RAM ADA RAM 0.472973 0.72973
10 M8C ADA ADA ADA ADA M8C 0.461538 0.789474
11 XYP GCU 0.457143 0.868421
12 ADA ADA ADA ADA M8C M8C 0.45 0.789474
13 M8C ADA ADA ADA M8C M8C 0.45 0.789474
14 LGU MAV BEM 0.447368 0.942857
15 GTR RAM GTR RAM GTR RAM 0.4375 0.810811
16 XYP XYP GCV 0.402299 0.868421
Similar Ligands (3D)
Ligand no: 1; Ligand: ADA ADA ADA; Similar ligands found: 3
No: Ligand Similarity coefficient
1 GTR ADA ADA 0.9882
2 X1X ADA ADA 0.9776
3 X0X ADA ADA 0.9756
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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