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
CA A:493;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MAV BEM B:1;
Valid;
none;
Kd = 2.8 uM
n/a n/a
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 BEM; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: MAV BEM; Similar ligands found: 21
No: Ligand Similarity coefficient
1 MAV BEM 0.9998
2 MAN BMA 0.9388
3 BEM LGU 0.9342
4 BEM BEM 0.9339
5 LGU MAW 0.9273
6 BMA BMA 0.9193
7 IFM BMA 0.9160
8 PA1 GCS 0.9070
9 GLC BGC 0.9007
10 GLC GAL 0.8980
11 9MR 0.8949
12 BMA BGC 0.8870
13 BGC Z9D 0.8853
14 SHG BGC 0.8847
15 BMA GAL 0.8841
16 BGC OXZ 0.8833
17 BGC GAL 0.8794
18 BGC BGC 0.8794
19 GCS GCS 0.8772
20 IFM BGC 0.8732
21 FLF 0.8524
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
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