Receptor
PDB id Resolution Class Description Source Keywords
4FBV 1.76 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE MYXOCOCCUS XANTHUS HEMAGGLUTININ IN WITH A3,A6-MANNOPENTAOSE MYXOCOCCUS XANTHUS BETA-BARREL HIV-INACTIVATING CARBOHYDRATE BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE ANTI-HIV ACTIVITY OF T OSCILLATORIA AGARDHII AGGLUTININ HOMOLOG LECTIN FAM J.BIOL.CHEM. V. 287 33796 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA MAN MAN MAN MAN B:1;
C:1;
Valid;
Valid;
none;
none;
submit data
826.704 n/a O=C1C...
EDO A:311;
A:312;
A:313;
A:314;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4FBV 1.76 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE MYXOCOCCUS XANTHUS HEMAGGLUTININ IN WITH A3,A6-MANNOPENTAOSE MYXOCOCCUS XANTHUS BETA-BARREL HIV-INACTIVATING CARBOHYDRATE BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE ANTI-HIV ACTIVITY OF T OSCILLATORIA AGARDHII AGGLUTININ HOMOLOG LECTIN FAM J.BIOL.CHEM. V. 287 33796 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4FBV - BMA MAN MAN MAN MAN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4GK9 Kd = 47 uM BMA MAN MAN MAN MAN n/a n/a
2 4FBV - BMA MAN MAN MAN MAN n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4GK9 Kd = 47 uM BMA MAN MAN MAN MAN n/a n/a
2 4FBV - BMA MAN MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA MAN MAN MAN MAN; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA MAN MAN MAN MAN 1 1
2 MMA MAN MAN 0.616438 0.891892
3 BMA MAN MAN 0.567568 0.942857
4 BMA MAN MAN MAN 0.536585 0.868421
5 BGC BGC BGC BGC 0.530864 0.942857
6 NAG BMA MAN MAN MAN MAN MAN 0.511364 0.825
7 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.510204 0.73913
8 BMA NGT MAN MAN 0.505376 0.666667
9 NAG NAG MAN MAN MAN 0.494845 0.693878
10 MAN BMA MAN MAN MAN MAN MAN 0.483871 0.891892
11 NDG BMA MAN MAN NAG MAN MAN 0.481132 0.693878
12 NAG BMA MAN MAN MAN MAN 0.479167 0.73913
13 H1M MAN MAN 0.47619 0.825
14 BGC GLC GLC 0.475 0.942857
15 MAN MAN MAN 0.465116 0.916667
16 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.463918 0.785714
17 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.460784 0.73913
18 BGC GLC GLC GLC GLC 0.459459 0.942857
19 BGC GLC GLC GLC GLC GLC 0.459459 0.942857
20 MAN MAN BMA 0.45679 0.891892
21 BGC GLC GLC GLC 0.452381 0.942857
22 GLC GLC GLC GLC GLC 0.452381 0.942857
23 1GN ACY GAL 1GN BGC ACY GAL BGC 0.44898 0.693878
24 MAN MAN MAN MAN MAN MAN MAN 0.445652 0.942857
25 GLC GLC GLC 0.440476 0.891892
26 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.432432 0.693878
27 BMA BMA BMA BMA GLA 0.430233 0.942857
28 MBG GAL 0.426667 0.891892
29 MMA MAN 0.426667 0.891892
30 YZ0 MAN MAN NAG MAN 0.425743 0.708333
31 GAL SO4 GAL 0.421687 0.634615
32 OPM MAN MAN 0.41573 0.767442
33 BQZ 0.414286 0.857143
34 KDO MAN MAN MAN MAN MAN 0.410714 0.921053
35 BMA BMA BMA BMA GLA BMA GLA 0.410526 0.972222
36 GLC BGC BGC BGC 0.410256 0.942857
37 BGC BGC BGC BGC BGC 0.410256 0.942857
38 BGC BGC BGC BGC BGC BGC 0.410256 0.942857
39 BGC BGC BGC BGC BGC BGC BGC 0.410256 0.942857
40 BGC BGC BGC 0.410256 0.942857
41 BGC GAL GLA 0.407407 0.942857
42 AHR AHR AHR AHR AHR AHR 0.405405 0.810811
43 AHR AHR AHR AHR AHR 0.405405 0.810811
44 AHR AHR AHR AHR 0.405405 0.810811
45 GLC FRU GLA GLA GLA 0.402299 0.846154
46 GLC FRU GLA GLA 0.402299 0.846154
47 NAG NAG BMA MAN MAN MAN MAN 0.4 0.641509
48 GAL GLA 0.4 0.942857
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA MAN MAN MAN MAN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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