Receptor
PDB id Resolution Class Description Source Keywords
1y3p 2 Å NON-ENZYME: BINDING STRUCTURE OF ALGQ1, ALGINATE-BINDING PROTEIN, COMPLEXED WITH ALGINATE TETRASACCHARIDE SPHINGOMONAS SP. SUGAR BINDING PROTEIN ALGINATE
Ref.: DIRECT EVIDENCE FOR SPHINGOMONAS SP. A1 PERIPLASMIC AS MACROMOLECULE-BINDING PROTEINS ASSOCIATED WITH T TRANSPORTER: MOLECULAR INSIGHTS INTO ALGINATE TRANS THE PERIPLASM(,) BIOCHEMISTRY V. 44 5053 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:493;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
MAV LGU MAV BEM B:1;
 Valid;
 none;
 Kd = 15 uM
700.464 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y3N 1.6 Å NON-ENZYME: BINDING STRUCTURE OF ALGQ1, ALGINATE-BINDING PROTEIN, COMPLEXED WITH ALGINATE DISACCHARIDE SPHINGOMONAS SP. SUGAR BINDING PROTEIN ALGINATE
Ref.: DIRECT EVIDENCE FOR SPHINGOMONAS SP. A1 PERIPLASMIC AS MACROMOLECULE-BINDING PROTEINS ASSOCIATED WITH T TRANSPORTER: MOLECULAR INSIGHTS INTO ALGINATE TRANS THE PERIPLASM(,) BIOCHEMISTRY V. 44 5053 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 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
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 : 1Y3N; Ligand: 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: 1y3n.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback