Receptor
PDB id Resolution Class Description Source Keywords
2P34 2.1 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A LECTIN FROM CANAVALIA MARITIMA SEEDS COMPLEX WITH MAN1-4MAN-OME CANAVALIA MARITIMA CANAVALIA MARITIMA LECTIN DIMANNOSIDE PLANT PROTEIN
Ref.: STRUCTURAL ANALYSIS OF CANAVALIA MARITIMA AND CANAV GLADIATA LECTINS COMPLEXED WITH DIFFERENT DIMANNOSI INSIGHTS INTO THE UNDERSTANDING OF THE STRUCTURE-BI ACTIVITY RELATIONSHIP IN LEGUME LECTINS. J.STRUCT.BIOL. V. 160 168 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:302;
B:302;
C:302;
D:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MMA MAN F:1;
E:1;
H:1;
G:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
356.324 n/a O(CC1...
MN A:301;
B:301;
C:301;
D:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
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; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 MMA MAN 1 1
2 BGC GLC GLC GLC GLC GLC 0.666667 0.942857
3 MMA MAN MAN 0.666667 1
4 BGC GLC GLC GLC GLC 0.666667 0.942857
5 AMG 0.651163 0.914286
6 GYP 0.651163 0.914286
7 MBG 0.651163 0.914286
8 MMA 0.651163 0.914286
9 BMA MAN MAN MAN 0.584615 0.972222
10 AHR AHR 0.56 0.810811
11 AHR AHR AHR AHR 0.557692 0.810811
12 AHR AHR AHR AHR AHR 0.557692 0.810811
13 AHR AHR AHR AHR AHR AHR 0.557692 0.810811
14 BGC GLC GLC 0.557377 0.942857
15 H1M MAN MAN 0.553846 0.921053
16 Z4R MAN MAN 0.542857 0.897436
17 Z9N GLC 0.534483 0.8
18 GLC GLC GLC 0.53125 0.891892
19 FRU GLC GLA 0.53125 0.846154
20 BMA MAN MAN 0.52459 0.942857
21 BGC GLC GLC GLC 0.523077 0.942857
22 GLC GLC GLC GLC GLC 0.523077 0.942857
23 GLC FRU GLA GLA GLA 0.523077 0.846154
24 GLC FRU GLA GLA 0.523077 0.846154
25 NGB 0.522388 0.6
26 BGC BGC BGC BGC 0.507463 0.942857
27 YZ0 MAN MAN NAG MAN 0.493827 0.744681
28 GLC FRU GLA 0.485714 0.846154
29 MAN MAN BMA 0.484375 0.891892
30 NOJ BGC 0.483333 0.666667
31 DEG 0.481481 0.775
32 IFM MAN 0.47541 0.680851
33 MGL GAL 0.473684 1
34 AXR BXY BXY BXX 0.472973 0.8
35 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.921053
36 U1Y BGC 0.466667 0.921053
37 J5B 0.464286 0.794872
38 EBQ 0.464286 0.794872
39 RGG 0.462963 0.833333
40 BHG 0.45614 0.72093
41 HEX GLC 0.45614 0.72093
42 JZR 0.45614 0.72093
43 B7G 0.448276 0.744186
44 KGM 0.448276 0.744186
45 MBG GAL 0.448276 1
46 MBG GLA 0.446429 1
47 GYP GZL NAG 0.444444 0.7
48 BNG 0.440678 0.744186
49 HSJ 0.440678 0.744186
50 BOG 0.440678 0.744186
51 DGD 0.439024 0.73913
52 MAN MAN MAN MAN MAN MAN MAN 0.428571 0.942857
53 BMA BMA BMA BMA GLA 0.428571 0.942857
54 BMA MAN MAN MAN MAN 0.426667 0.891892
55 AXR BXY BXY BXY BXX BXX 0.425 0.8
56 HNV 0.41791 0.825
57 1GN ACY GAL 1GN BGC ACY GAL BGC 0.416667 0.693878
58 GL1 0.415094 0.666667
59 G1P 0.415094 0.666667
60 XGP 0.415094 0.666667
61 M1P 0.415094 0.666667
62 FK9 0.412698 0.704545
63 MAN MAN MAN 0.410959 0.916667
64 SER MAN 0.409836 0.688889
65 J7Z 0.406593 0.755556
66 GLC U8V 0.403226 0.918919
67 DR4 0.402985 0.785714
68 XNS 0.402985 0.785714
69 MAN BMA MAN MAN MAN MAN MAN 0.402439 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MMA MAN; Similar ligands found: 39
No: Ligand Similarity coefficient
1 ZEL MAN 0.9952
2 MAN MAN 0.9802
3 MSX MAN 0.9611
4 DMJ MAN 0.9508
5 BMA MAN 0.9487
6 MAN GLC 0.9474
7 MMA LDY 0.9408
8 MAN MNM 0.9387
9 TW7 GLC 0.9341
10 MAN G63 0.9335
11 Z5L MAN 0.9318
12 GLC GLC 0.9313
13 MAN MVL 0.9185
14 7D1 MAN 0.9175
15 MAN IFM 0.9169
16 BDF GLC 0.9121
17 GLC DMJ 0.9115
18 RZM 0.9105
19 FRU GLC 0.9078
20 DGO MAN 0.9074
21 GLC FRU 0.9053
22 BMA GLA 0.9051
23 GLF B8D 0.9034
24 BGC GLC 0.8988
25 GMH GMH 0.8971
26 GLC BGC 0.8942
27 GLC GLA 0.8908
28 GPM GLC 0.8865
29 XMM 0.8864
30 MA1 GLC 0.8854
31 GLC IFM 0.8854
32 RR7 GLC 0.8831
33 DTK 0.8806
34 DGO Z61 0.8788
35 NOJ GLC 0.8731
36 BGC GLA 0.8698
37 GLA GLC 0.8654
38 GAL FUC 0.8593
39 FRU FRU 0.8590
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
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