Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEM MAV A:494;
Valid;
none;
Kd = 2.8 uM
350.232 n/a O=C([...
CA A:493;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
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 510 families.
1 1Y3P Kd = 15 uM BEM MAV LGU MAV n/a n/a
2 1Y3N Kd = 2.8 uM BEM MAV 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 391 families.
1 1Y3P Kd = 15 uM BEM MAV LGU MAV n/a n/a
2 1Y3N Kd = 2.8 uM BEM MAV n/a n/a
3 1J1N - BEM MAV LGU MAV n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1Y3P Kd = 15 uM BEM MAV LGU MAV n/a n/a
2 1Y3N Kd = 2.8 uM BEM MAV n/a n/a
3 1J1N - BEM MAV LGU MAV n/a n/a
4 5XS8 - GCD 8EX n/a n/a
5 5GX7 Kd = 2.76 uM GCD NG6 n/a n/a
6 5GX6 Kd = 1.6 uM GCD ASG n/a n/a
7 5GUB Kd = 0.635 uM NGA GCD n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEM MAV; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 BEM MAV 1 1
2 MAW MAV GCU 0.852459 0.96875
3 MAW BEM BEM BEM 0.852459 0.96875
4 BEM MAV LGU MAV 0.852459 0.96875
5 MAW LGU BEM BEM 0.852459 0.96875
6 AQA RAM GTR 0.772727 0.96875
7 UNF 0.59375 0.967742
8 UNG 0.59375 0.967742
9 RAM GAD 0.560606 0.9375
10 ADA ADA 0.492308 0.935484
11 83Y GCB 83Y GCD 0.488889 0.612245
12 83Y BDP 83Y GCD 0.488889 0.612245
13 ADA ADA ADA ADA 0.463768 0.90625
14 GTR ADA ADA 0.463768 0.90625
15 ADA ADA ADA ADA ADA ADA 0.463768 0.90625
16 ADA ADA ADA ADA ADA 0.463768 0.90625
17 GAD NDG 0.461538 0.632653
18 NGA GCD 0.461538 0.632653
19 GCD NGA 0.461538 0.632653
20 NAG GAD 0.461538 0.632653
21 LGU MAV BEM 0.426667 0.828571
22 BGC RAM BGC GAD 0.417582 0.75
23 RAM GTR RAM GTR RAM GTR 0.4 0.852941
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Y3N; Ligand: BEM MAV; 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
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