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Receptor
PDB id Resolution Class Description Source Keywords
4I4V 1.5 Å NON-ENZYME: OTHER BEL BETA-TREFOIL COMPLEX WITH N-ACETYLGALACTOSAMINE 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
NGA B:202;
A:202;
A:201;
B:201;
D:202;
D:201;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
TRS D:203;
C:201;
A:203;
Invalid;
Invalid;
Invalid;
none;
none;
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 1443 families.
1 4I4V - NGA C8 H15 N O6 CC(=O)N[C@....
2 4I4U - GLA C6 H12 O6 C([C@@H]1[....
3 4I4S - LAT C12 H22 O11 C([C@@H]1[....
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 1205 families.
1 4I4V - NGA C8 H15 N O6 CC(=O)N[C@....
2 4I4U - GLA C6 H12 O6 C([C@@H]1[....
3 4I4S - LAT C12 H22 O11 C([C@@H]1[....
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 298 families.
1 2Y9G - LAT C12 H22 O11 C([C@@H]1[....
2 4I4V - NGA C8 H15 N O6 CC(=O)N[C@....
3 4I4U - GLA C6 H12 O6 C([C@@H]1[....
4 4I4S - LAT C12 H22 O11 C([C@@H]1[....
5 4I4Y - A2G SER GAL n/a n/a
6 4I4X - A2G GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NGA; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: 39
This union binding pocket(no: 1) in the query (biounit: 4i4s.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1E3I CXF 2.05479
2 1ZGD NAP 2.05479
3 4CJX NAP 2.05479
4 3VHH VHH 2.43902
5 3KAL ADP 2.73973
6 1EKO NAP 3.42466
7 5DNC ASN 3.42466
8 6EQS BV8 4.10959
9 1C7S CBS 4.10959
10 2NVA PL2 4.79452
11 1YC5 NCA 5.47945
12 5N0F 7K2 5.47945
13 1ZUA NAP 5.47945
14 1ZUA TOL 5.47945
15 2JK0 ASP 5.47945
16 4RF7 ARG 5.47945
17 5MQ5 ASP 5.47945
18 3KCC CMP 5.47945
19 5K21 6QF 5.67376
20 3O3R NAP 6.84932
21 4XZ9 G3P 6.84932
22 1BVY FMN 6.84932
23 5JE0 AZ8 7.53425
24 5JE0 SAH 7.53425
25 2DJH 3PD UM3 7.82609
26 5NE5 KIF 8.21918
27 2HIM ASP 8.21918
28 2C31 TZD 8.90411
29 2C31 ADP 8.90411
30 5DY5 5GR 8.90411
31 1KJ1 MAN 9.17431
32 4YEE 4CQ 10
33 4IJR NDP 10.274
34 1DJN FMN 11.6438
35 1YUC EPH 14.3836
36 3F10 8HG 18.4932
37 1S7G NAD 24.6575
38 3LGS SAH 27.3973
39 3LGS ADE 27.3973
Pocket No.: 2; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 4i4s.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1BXG NAD 2.73973
2 4ZGR NGA GAL 3.42466
3 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 4.10959
4 3PP0 03Q 4.10959
5 4COV GLA GAL 4.10959
6 3SUT OAN 4.10959
7 2HMT NAI 4.16667
8 4WKB TDI 4.79452
9 1SC6 NAD 5.47945
10 3TKA SAM 6.84932
11 4WVO 3UZ 7.53425
12 4XYM A12 8.21918
13 4J4H NAI 8.90411
14 4J4H 1J1 8.90411
15 4JK3 NAD 8.90411
16 1MV8 NAD 10.274
17 5F52 ASP 10.274
18 4AUA 4AU 10.9589
19 5D48 L96 11.6438
20 4MP8 NAD 14.3836
21 4MP8 MLI 14.3836
22 5M77 7K2 7K3 17.8082
Pocket No.: 3; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: 11
This union binding pocket(no: 3) in the query (biounit: 4i4s.bio4) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3KRB NAP 2.73973
2 5YJI 8WO 3.42466
3 5YJI SAH 3.42466
4 5YJF 8WO 3.42466
5 5YJF SAH 3.42466
6 4R38 RBF 4.28571
7 1HV9 UD1 5.47945
8 5HTX ADP 5.47945
9 3BWN PMP PHE 7.53425
10 3BWN PMP 7.53425
11 4ZAH T5K 9.58904
Pocket No.: 4; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: 10
This union binding pocket(no: 4) in the query (biounit: 4i4s.bio4) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1C1X NAD 2.73973
2 2Z77 HE7 3.59712
3 1G63 FMN 4.10959
4 1D1T NAD 4.79452
5 2YIC TPP 5.47945
6 2ZQO NGA 6.92308
7 2WCV FUC 7.14286
8 1TOI HCI 8.21918
9 5NNA BZM 12.3288
10 3NRZ FAD 26.0274
Pocket No.: 5; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4i4s.bio6) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4i4s.bio6) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4i4s.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4i4s.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4i4s.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4I4S; Ligand: LAT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4i4s.bio3) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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