Receptor
PDB id Resolution Class Description Source Keywords
1J1N 1.6 Å NON-ENZYME: BINDING STRUCTURE ANALYSIS OF ALGQ2, A MACROMOLECULE(ALGINATE)-BINDI PERIPLASMIC PROTEIN OF SPHINGOMONAS SP. A1., COMPLEXED WITHA LGINATE TETRASACCHARIDE SPHINGOMONAS SP. ALGINATE SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF ALGQ2, A MACROMOLECULE (ALGINATE)-BINDING PROTEIN OF SPHINGOMONAS SP. A1, WITH AN ALGINATE TETRASACCHARIDE AT 1.6-A RESOLUTIO J.BIOL.CHEM. V. 278 6552 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:493;
B:493;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
MAV LGU MAV BEM C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
700.464 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1J1N 1.6 Å NON-ENZYME: BINDING STRUCTURE ANALYSIS OF ALGQ2, A MACROMOLECULE(ALGINATE)-BINDI PERIPLASMIC PROTEIN OF SPHINGOMONAS SP. A1., COMPLEXED WITHA LGINATE TETRASACCHARIDE SPHINGOMONAS SP. ALGINATE SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF ALGQ2, A MACROMOLECULE (ALGINATE)-BINDING PROTEIN OF SPHINGOMONAS SP. A1, WITH AN ALGINATE TETRASACCHARIDE AT 1.6-A RESOLUTIO J.BIOL.CHEM. V. 278 6552 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1J1N - MAV LGU MAV BEM 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 1Y3P Kd = 15 uM MAV LGU MAV BEM n/a n/a
2 1Y3N Kd = 2.8 uM MAV BEM n/a n/a
3 1J1N - MAV LGU MAV BEM n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1Y3P Kd = 15 uM MAV LGU MAV BEM n/a n/a
2 1Y3N Kd = 2.8 uM MAV BEM n/a n/a
3 1J1N - MAV LGU MAV BEM n/a n/a
4 5XS8 - 8EX GCD n/a n/a
5 6INZ Kd = 1.6 uM NAG GCD n/a n/a
6 5GX7 Kd = 2.76 uM NG6 GCD n/a n/a
7 5GX6 Kd = 1.6 uM ASG GCD n/a n/a
8 5GUB Kd = 0.635 uM NGA GCD n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAV LGU MAV BEM; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 GCU MAV MAW 1 1
2 MAV LGU MAV BEM 1 1
3 LGU MAW 0.852459 0.96875
4 GTR RAM AQA 0.68 0.939394
5 ADA ADA ADA ADA ADA ADA 0.594203 0.9375
6 ADA ADA ADA ADA ADA 0.594203 0.9375
7 ADA ADA ADA ADA 0.594203 0.9375
8 83Y BDP 83Y GCD 0.588889 0.632653
9 LGU MAV BEM 0.546667 0.857143
10 ADA ADA ADA ADA ADA M8C 0.539474 0.882353
11 ADA ADA 0.536232 0.90625
12 ADA M8C M8C M8C ADA ADA 0.5125 0.857143
13 GTR RAM GTR RAM GTR RAM 0.5125 0.882353
14 ADA ADA ADA ADA M8C M8C 0.506173 0.857143
15 RAM GAD 0.493333 0.909091
16 ADA M8C M8C M8C M8C ADA 0.4875 0.857143
17 M8C ADA ADA ADA ADA M8C 0.481481 0.857143
18 M8C ADA ADA ADA M8C M8C 0.46988 0.857143
19 ADA AQA 0.466667 0.828571
20 BGC RAM BGC GAD 0.4375 0.775
21 NAG GAD 0.413793 0.62
22 RAM ADA RAM 0.402439 0.794118
Similar Ligands (3D)
Ligand no: 1; Ligand: MAV LGU MAV BEM; Similar ligands found: 1
No: Ligand Similarity coefficient
1 BEM BEM BEM MAW 0.8744
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1J1N; Ligand: MAV LGU MAV BEM; 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: 1j1n.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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