Receptor
PDB id Resolution Class Description Source Keywords
4I4Y 1.9 Å NON-ENZYME: OTHER BEL BETA-TREFOIL COMPLEX WITH T-ANTIGEN BOLETUS EDULIS LECTIN FRUITING BODIES SUGAR BINDING PROTEIN
Ref.: BEL {BETA}-TREFOIL: A NOVEL LECTIN WITH ANTINEOPLAS PROPERTIES IN KING BOLETE (BOLETUS EDULIS) MUSHROOM GLYCOBIOLOGY V. 23 578 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2G SER GAL G:1;
E:1;
J:1;
I:1;
F:1;
H:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
469.42 n/a O=C([...
TRS A:201;
 Invalid;
 none;
 submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4I4S 1.4 Å NON-ENZYME: OTHER BEL BETA-TREFOIL COMPLEX WITH LACTOSE BOLETUS EDULIS LECTIN FRUITING BODIES SUGAR BINDING PROTEIN
Ref.: BEL {BETA}-TREFOIL: A NOVEL LECTIN WITH ANTINEOPLAS PROPERTIES IN KING BOLETE (BOLETUS EDULIS) MUSHROOM GLYCOBIOLOGY V. 23 578 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4I4V - NGA C8 H15 N O6 CC(=O)N[C@....
2 4I4U - GLA C6 H12 O6 C([C@@H]1[....
3 4I4S - BGC GAL n/a n/a
4 4I4Y - A2G SER GAL n/a n/a
5 4I4X - A2G GAL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4I4V - NGA C8 H15 N O6 CC(=O)N[C@....
2 4I4U - GLA C6 H12 O6 C([C@@H]1[....
3 4I4S - BGC GAL n/a n/a
4 4I4Y - A2G SER GAL n/a n/a
5 4I4X - A2G GAL n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2Y9G - GLC GAL n/a n/a
2 4I4V - NGA C8 H15 N O6 CC(=O)N[C@....
3 4I4U - GLA C6 H12 O6 C([C@@H]1[....
4 4I4S - BGC GAL n/a n/a
5 4I4Y - A2G SER GAL n/a n/a
6 4I4X - A2G GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A2G SER GAL; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G SER GAL 1 1
2 A2G THR GAL 0.628205 0.924528
3 MGC GAL 0.614286 0.849057
4 A2G MBN GAL 0.580247 0.849057
5 A2G GAL 0.569444 0.882353
6 NGA THR GAL NAG 0.537634 0.924528
7 TNR 0.513158 0.941176
8 BGC GAL NGA GAL 0.511905 0.882353
9 A2G THR GAL NAG 0.510638 0.924528
10 GAL A2G MBN 0.505882 0.867925
11 A2G NPO GAL 0.505747 0.727273
12 BGC GAL NAG GAL 0.5 0.882353
13 A2G GAL NAG 0.5 0.903846
14 BGC GAL GLA NGA GAL 0.477778 0.882353
15 SER A2G 0.474359 0.960784
16 NAG GAL 0.467532 0.882353
17 TVD GAL 0.467532 0.886792
18 1GN ACY GAL 1GN BGC ACY GAL BGC 0.458333 0.903846
19 NAG GAL GAL 0.452381 0.882353
20 LOG GAL 0.451219 0.754098
21 NAG FUC GAL 0.44186 0.865385
22 NAG FUC 0.4375 0.846154
23 NAG BDP NAG BDP NAG BDP NAG 0.4375 0.90566
24 GAL NAG GAL 0.436782 0.882353
25 3YW 0.435897 0.843137
26 NAG BDP 0.433735 0.884615
27 NAG BMA 0.432099 0.867925
28 NAG GAL NAG GAL NAG GAL 0.428571 0.886792
29 NAG GAL NAG GAL 0.428571 0.903846
30 NOK GAL 0.428571 0.875
31 GAL NAG GAL NAG GAL 0.428571 0.903846
32 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.425743 0.87037
33 MAN NAG GAL 0.425287 0.882353
34 GAL SIA NGA GAL 0.423423 0.890909
35 SIA GAL NGA GAL 0.423423 0.907407
36 GAL NGA A2G 0.418605 0.903846
37 NAG GAL FUC 0.41573 0.865385
38 GAL NAG FUC GAL 0.414894 0.865385
39 A2G NAG 0.414634 0.903846
40 GAL GC2 0.411111 0.727273
41 NAG GAL FUC GLA 0.410526 0.865385
42 SER MAN 0.407895 0.803922
43 NAG GAL BGC GAL 0.406593 0.882353
44 GCU BGC 0.405063 0.666667
45 GLC U8V 0.402597 0.673077
46 NAG NAG BMA 0.402174 0.907407
47 MBG GAL 0.4 0.653846
48 GLA NAG GAL FUC 0.4 0.865385
49 GLC GAL NAG GAL FUC GLA 0.4 0.865385
Similar Ligands (3D)
Ligand no: 1; Ligand: A2G SER GAL; Similar ligands found: 2
No: Ligand Similarity coefficient
1 NGA SER GAL 0.9453
2 A2G CG3 GAL 0.8997
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4I4S; Ligand: BGC GAL; 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: 4i4s.bio6) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4I4S; Ligand: BGC GAL; 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: 4i4s.bio6) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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