Receptor
PDB id Resolution Class Description Source Keywords
2PHT 2.1 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (P L) IN COMPLEX WITH MAN-7D3 PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE HIGH MANNOSE SUGAR BINDING PROTEIN
Ref.: HOW A PLANT LECTIN RECOGNIZES HIGH MANNOSE OLIGOSAC PLANT PHYSIOL. V. 144 1733 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:302;
B:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN MAN MAN C:1;
Valid;
none;
submit data
502.422 n/a O(CC1...
MN A:301;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
BMA MAN MAN MAN MAN D:1;
Valid;
none;
submit data
826.704 n/a O=C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PHT 2.1 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (P L) IN COMPLEX WITH MAN-7D3 PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE HIGH MANNOSE SUGAR BINDING PROTEIN
Ref.: HOW A PLANT LECTIN RECOGNIZES HIGH MANNOSE OLIGOSAC PLANT PHYSIOL. V. 144 1733 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2PHT - MAN MAN MAN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2PHT - MAN MAN MAN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2PHT - MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN MAN; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN 1 1
2 BMA MAN MAN 0.777778 0.970588
3 BGC BGC BGC BGC 0.621622 0.970588
4 MAN MAN MAN MAN MAN MAN MAN 0.6125 0.970588
5 GAL SO4 GAL 0.583333 0.68
6 GAL GLA 0.578125 0.970588
7 MMA MAN MAN 0.540541 0.916667
8 BGC BGC BGC BGC BGC 0.536232 0.970588
9 BGC BGC BGC 0.536232 0.970588
10 BGC BGC BGC BGC BGC BGC BGC 0.536232 0.970588
11 BGC BGC BGC BGC BGC BGC 0.536232 0.970588
12 GLC BGC BGC BGC 0.536232 0.970588
13 BGC GLC GLC GLC GLC 0.529412 0.970588
14 BGC GLC GLC GLC GLC GLC 0.529412 0.970588
15 BGC GLC GLC 0.5 0.970588
16 GLC GLC GLC GLC GLC 0.493671 0.970588
17 BGC GLC GLC GLC 0.493671 0.970588
18 MAN MAN MAN MAN MAN MAN MAN MAN 0.483871 0.871795
19 MAN MAN BMA 0.480519 0.916667
20 MAN BMA MAN MAN MAN MAN MAN 0.472527 0.916667
21 BMA MAN MAN MAN 0.46988 0.891892
22 BMA BMA BMA BMA GLA 0.469136 0.970588
23 MAN MAN M6P 0.469136 0.809524
24 NAG BMA MAN MAN MAN MAN MAN 0.465909 0.846154
25 BMA MAN MAN MAN MAN 0.465116 0.916667
26 GLC GLC GLC 0.4625 0.916667
27 BMA MAN MAN NAG GAL NAG 0.46 0.673469
28 GCU BGC 0.453333 0.942857
29 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.451219 0.970588
30 AHR AHR AHR AHR AHR AHR 0.449275 0.833333
31 AHR AHR AHR AHR 0.449275 0.833333
32 AHR AHR AHR AHR AHR 0.449275 0.833333
33 AHR AHR 0.447761 0.833333
34 H1M MAN MAN 0.445783 0.846154
35 BQZ 0.439394 0.882353
36 MAN MAN MAN NAG NAG 0.430108 0.673469
37 BGC GAL GLA 0.428571 0.970588
38 BGC BGC BGC BGC BGC BGC BGC BGC 0.425 0.970588
39 GLC BGC FUC GAL 0.425 0.942857
40 BGC FUC GAL 0.425 0.942857
41 NAG NAG MAN MAN MAN 0.424242 0.673469
42 NAG BMA MAN MAN MAN MAN 0.42268 0.717391
43 MAN BMA BMA BMA BMA BMA BMA 0.418919 0.970588
44 GLC GLC GLC GLC BGC GLC GLC 0.418919 0.970588
45 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.418919 0.970588
46 BMA NGT MAN MAN 0.416667 0.647059
47 GAL NAG GAL 0.413793 0.717391
48 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.411765 0.717391
49 A2G GAL NAG 0.411111 0.673469
50 BGC BGC BGC XYS BGC XYS 0.411111 0.916667
51 MMA MAN 0.410959 0.916667
52 MBG GAL 0.410959 0.916667
53 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.408163 0.804878
54 1GN ACY GAL 1GN BGC ACY GAL BGC 0.408163 0.673469
55 MAN MAN MAN GLC 0.402439 0.970588
56 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.402174 0.916667
57 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.402174 0.916667
58 BGC BGC BGC BGC BGC XYS 0.402174 0.916667
59 NAG GAL BGC GAL 0.4 0.717391
Ligand no: 2; 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: MAN MAN MAN; Similar ligands found: 1
No: Ligand Similarity coefficient
1 YZ0 MAN Z4Y 0.9447
Ligand no: 2; 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)
Pocket No.: 1; Query (leader) PDB : 2PHT; Ligand: MAN MAN MAN; 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: 2pht.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PHT; Ligand: BMA MAN MAN MAN MAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2pht.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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