Receptor
PDB id Resolution Class Description Source Keywords
1ONA 2.35 Å NON-ENZYME: BINDING CO-CRYSTALS OF CONCANAVALIN A WITH METHYL-3,6-DI-O-(ALPHA-D- MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE CANAVALIA ENSIFORMIS PLANT LECTIN MANGANESE GLYCOPROTEIN
Ref.: A STRUCTURE OF THE COMPLEX BETWEEN CONCANAVALIN A A METHYL-3,6-DI-O-(ALPHA-D-MANNOPYRANOSYL) -ALPHA-D-MANNOPYRANOSIDE REVEALS TWO BINDING MODES. J.BIOL.CHEM. V. 271 30614 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:239;
B:239;
C:239;
D:239;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:238;
B:238;
C:238;
D:238;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
MMA MAN MAN H:1;
E:1;
G:1;
F:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
518.465 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JN2 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MESO-TETRASULPHONATOPHENYL PORPHYRIN CO WITH CONCANAVALIN A CANAVALIA ENSIFORMIS LECTIN SUGAR BINDING PROTEIN
Ref.: FUNCTIONAL EQUALITY IN THE ABSENCE OF STRUCTURAL SI AN ADDED DIMENSION TO MOLECULAR MIMICRY J.BIOL.CHEM. V. 276 39277 2000
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MMA MAN MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MMA MAN MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MMA MAN MAN; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 MMA MAN MAN 1 1
2 BMA MAN MAN MAN 0.809524 0.972222
3 NAG BMA MAN MAN MAN MAN MAN 0.704225 0.921053
4 MBG GAL 0.696429 1
5 BMA MAN MAN 0.677419 0.942857
6 MMA MAN 0.666667 1
7 H1M MAN MAN 0.647059 0.921053
8 BGC BGC BGC BGC 0.623188 0.942857
9 BMA MAN MAN MAN MAN 0.616438 0.891892
10 YZ0 MAN MAN NAG MAN 0.590361 0.744681
11 BMA NGT MAN MAN 0.560976 0.666667
12 MAN MAN BMA 0.558824 0.891892
13 MAN MAN MAN 0.540541 0.916667
14 MAN BMA MAN MAN MAN MAN MAN 0.536585 1
15 BGC GLC GLC 0.536232 0.942857
16 NAG NAG MAN MAN MAN 0.528736 0.693878
17 BGC GLC GLC GLC GLC GLC 0.52381 0.942857
18 BGC GLC GLC GLC GLC 0.52381 0.942857
19 GLC GLC GLC 0.513889 0.891892
20 NAG BMA MAN MAN MAN MAN 0.511628 0.73913
21 1GN ACY GAL 1GN BGC ACY GAL BGC 0.511628 0.693878
22 MBG GLA 0.508197 1
23 MGL GAL 0.507937 1
24 GLC GLC GLC GLC GLC 0.506849 0.942857
25 BGC GLC GLC GLC 0.506849 0.942857
26 BQZ 0.5 0.857143
27 AXR BXY BXY BXX 0.5 0.8
28 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.494505 0.73913
29 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.494253 0.829268
30 MAN MAN MAN MAN MAN MAN MAN 0.493827 0.942857
31 YZ0 MAN Z4Y NAG MAN 0.489796 0.7
32 Z4R MAN MAN 0.4875 0.897436
33 BGC BGC BGC BGC BGC 0.484848 0.942857
34 BGC BGC BGC BGC BGC BGC 0.484848 0.942857
35 BGC BGC BGC 0.484848 0.942857
36 BGC BGC BGC BGC BGC BGC BGC 0.484848 0.942857
37 GLC BGC BGC BGC 0.484848 0.942857
38 BMA BMA BMA BMA GLA 0.48 0.942857
39 GAL GLA 0.47619 0.942857
40 NDG BMA MAN MAN NAG MAN MAN 0.464646 0.693878
41 GYP 0.464286 0.914286
42 MMA 0.464286 0.914286
43 MBG 0.464286 0.914286
44 AMG 0.464286 0.914286
45 OPM MAN MAN 0.461538 0.809524
46 AHR AHR AHR AHR 0.460317 0.810811
47 AHR AHR AHR AHR AHR AHR 0.460317 0.810811
48 AHR AHR AHR AHR AHR 0.460317 0.810811
49 AHR AHR 0.459016 0.810811
50 BGC GAL GLA 0.457143 0.942857
51 AXR BXY BXY BXY BXX BXX 0.453488 0.8
52 GAL SO4 GAL 0.452055 0.634615
53 MGC GAL 0.450704 0.744681
54 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.442105 0.73913
55 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.441558 0.942857
56 BGC GLA GAL 0.4375 0.942857
57 NAG NAG BMA MAN MAN MAN MAN 0.432692 0.641509
58 MBG NAG 0.432432 0.744681
59 BGC BGC BGC BGC BGC BGC BGC BGC 0.432432 0.942857
60 KDO MAN MAN MAN MAN MAN 0.431373 0.825
61 BGC GAL NAG NAG GAL GAL 0.430108 0.693878
62 Z9N GLC 0.428571 0.8
63 NOJ BGC 0.428571 0.666667
64 MMA XYP 0.428571 0.972222
65 MAN MAN MAN GLC 0.426667 0.942857
66 NAG GAL BGC GAL 0.421687 0.73913
67 GLC U8V 0.42029 0.918919
68 BMA BMA BMA BMA GLA BMA GLA 0.418605 0.868421
69 NAG GAL GAL 0.417722 0.73913
70 GTM BGC BGC 0.417722 0.921053
71 A2G GAL NAG 0.416667 0.693878
72 FRU GLC GLA 0.415584 0.846154
73 GLC EDO GLC 0.414286 0.891892
74 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.413462 0.693878
75 NGB 0.4125 0.6
76 GLC G6P 0.411765 0.75
77 RR7 GLC 0.411765 0.891892
78 BGC 5VQ GAL GLA 0.410959 0.894737
79 GLC FRU GLA GLA GLA 0.410256 0.846154
80 GLC FRU GLA GLA 0.410256 0.846154
81 AHR FUB 0.409836 0.810811
82 MAN MNM 0.408451 0.673469
83 GLC DMJ 0.408451 0.666667
84 RGG 0.40625 0.833333
85 FUC GAL 0.405797 0.942857
86 MAN MAN M6P 0.405063 0.75
87 NAG BMA MAN MAN NAG GAL NAG GAL 0.40404 0.68
88 IFM MAN 0.402778 0.680851
89 GCU BGC 0.402778 0.864865
90 BGC ZZ1 BGC 0.402299 0.772727
91 NGA THR GAL NAG 0.4 0.653846
92 DEG 0.4 0.775
93 MMA GLA ABE 0.4 0.921053
Similar Ligands (3D)
Ligand no: 1; Ligand: MMA MAN MAN; Similar ligands found: 1
No: Ligand Similarity coefficient
1 YZ0 MAN Z4Y 0.9315
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JN2; Ligand: SFP; 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: 1jn2.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JN2; Ligand: SFP; 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: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1JN2; Ligand: SFP; 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: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback