Receptor
PDB id Resolution Class Description Source Keywords
2UVF 2.1 Å EC: 7.-.-.- STRUCTURE OF YERSINIA ENTEROCOLITICA FAMILY 28 EXOPOLYGALACT COMPLEX WITH DIGALATURONIC ACID YERSINIA ENTEROCOLITICA GH28 PECTIN CELL WALL HYDROLASE PERIPLASM YERSINIA ENTEROCOLITICA BETA-HELIX GLYCOSIDASE EXO-ACTIVITY
Ref.: THE STRUCTURAL BASIS FOR EXOPOLYGALACTURONASE ACTIV FAMILY 28 GLYCOSIDE HYDROLASE. J.MOL.BIOL. V. 368 1215 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:1626;
B:1627;
B:1628;
B:1629;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
NI A:1613;
A:1614;
A:1615;
A:1616;
B:1620;
B:1621;
B:1622;
B:1623;
B:1624;
B:1625;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
58.693 Ni [Ni+2...
PEG B:1630;
B:1631;
 Invalid;
Invalid;
 none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
SO4 A:1607;
A:1608;
A:1609;
A:1610;
A:1611;
A:1612;
B:1608;
B:1609;
B:1610;
B:1611;
B:1612;
B:1613;
B:1614;
B:1615;
B:1616;
B:1617;
B:1618;
B:1619;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ADA ADA C:1;
 Valid;
 none;
 submit data
368.247 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UVF 2.1 Å EC: 7.-.-.- STRUCTURE OF YERSINIA ENTEROCOLITICA FAMILY 28 EXOPOLYGALACT COMPLEX WITH DIGALATURONIC ACID YERSINIA ENTEROCOLITICA GH28 PECTIN CELL WALL HYDROLASE PERIPLASM YERSINIA ENTEROCOLITICA BETA-HELIX GLYCOSIDASE EXO-ACTIVITY
Ref.: THE STRUCTURAL BASIS FOR EXOPOLYGALACTURONASE ACTIV FAMILY 28 GLYCOSIDE HYDROLASE. J.MOL.BIOL. V. 368 1215 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 2UVF - ADA ADA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 2UVF - ADA ADA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 2UVF - 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) APoc FAQ
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