Receptor
PDB id Resolution Class Description Source Keywords
2UVI 2.3 Å NON-ENZYME: BINDING STRUCTURE OF A PERIPLASMIC OLIGOGALACTURONIDE BINDING PROTEI YERSINIA ENTEROCOLITICA IN COMPLEX WITH 4,5-UNSATURATED D IGALACTURONIC ACID YERSINIA ENTEROCOLITICA SUGAR-BINDING PROTEIN PERIPLASMIC BINDING PROTEIN 4 TOGBDEGRADATION YERSINIA ENTEROCOLITICA 5-UNSATURATED DIGALACACID SUGAR BINDING 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 AQA B:1;
 Valid;
 none;
 Kd = 310.5 uM
352.248 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 AQA; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA AQA 1 1
2 LGU MAV BEM 0.890909 0.969697
3 ADA ADA 0.59322 0.90625
4 ADA ADA ADA ADA 0.555556 0.878788
5 ADA ADA ADA ADA ADA 0.555556 0.878788
6 ADA ADA ADA ADA ADA ADA 0.555556 0.878788
7 ADA ADA ADA ADA ADA M8C 0.5 0.828571
8 GTR RAM GTR RAM GTR RAM 0.493151 0.828571
9 ADA M8C M8C M8C M8C ADA 0.486111 0.805556
10 ADA M8C M8C M8C ADA ADA 0.472973 0.805556
11 GCU MAV MAW 0.466667 0.828571
12 ADA ADA ADA ADA M8C M8C 0.466667 0.805556
13 MAV LGU MAV BEM 0.466667 0.828571
14 LGU MAW 0.463768 0.852941
15 NAG GC4 0.453333 0.645833
16 M8C ADA ADA ADA ADA M8C 0.44 0.805556
17 M8C ADA ADA ADA M8C M8C 0.428571 0.805556
18 GTR RAM AQA 0.407407 0.828571
Similar Ligands (3D)
Ligand no: 1; Ligand: ADA AQA; Similar ligands found: 7
No: Ligand Similarity coefficient
1 GTR AQA 0.9473
2 GTR ADA 0.9413
3 GLA GLA 0.9344
4 GAL GLA 0.9233
5 GLC FRU 0.8838
6 RAM GAD 0.8659
7 EGA GLA 0.8607
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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