Receptor
PDB id Resolution Class Description Source Keywords
1LOF 2.3 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF A BIANTENNARY OCTASACCHARIDE-LECTIN COMPL ANGSTROMS RESOLUTION LATHYRUS OCHRUS LECTIN
Ref.: X-RAY STRUCTURE OF A BIANTENNARY OCTASACCHARIDE-LEC COMPLEX REFINED AT 2.3-A RESOLUTION. J.BIOL.CHEM. V. 267 197 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:227;
C:457;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN MAN NAG F:1;
Valid;
none;
submit data
529.492 n/a O=C(N...
MN A:228;
C:458;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG BMA MAN MAN NAG GAL NAG GAL E:1;
Valid;
none;
submit data
1438.3 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LOF 2.3 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF A BIANTENNARY OCTASACCHARIDE-LECTIN COMPL ANGSTROMS RESOLUTION LATHYRUS OCHRUS LECTIN
Ref.: X-RAY STRUCTURE OF A BIANTENNARY OCTASACCHARIDE-LEC COMPLEX REFINED AT 2.3-A RESOLUTION. J.BIOL.CHEM. V. 267 197 1992
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1LOF - MAN MAN NAG 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 1LOF - MAN MAN NAG 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 1LOF - MAN MAN NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN NAG; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN NAG 1 1
2 GAL NGA 0.830769 0.978723
3 GAL NAG GAL FUC 0.670732 0.979167
4 MMA MAN NAG 0.636364 0.918367
5 MAN MAN MAN NAG NAG 0.6 0.9
6 MAN NAG 0.575342 0.957447
7 NAG NAG BMA MAN NAG 0.549451 0.882353
8 NDG NAG 0.545455 0.882353
9 A2G NAG 0.539474 0.9
10 GDL NAG 0.539474 0.9
11 MMA MAN NAG MAN NAG NAG 0.533333 0.865385
12 3QL 0.530864 0.833333
13 NAG NAG NAG 0.52381 0.886792
14 NAG NAG NAG NAG 0.52381 0.886792
15 NAG NAG NAG NAG NAG NAG NAG 0.52381 0.886792
16 YZ0 MAN MAN NAG MAN 0.521277 0.918367
17 BMA MAN MAN NAG GAL NAG 0.520408 0.9
18 MBG NAG 0.519481 0.918367
19 GAL NGA A2G 0.518519 0.9
20 MBG A2G 0.512821 0.918367
21 NAG NAG NAG NAG NAG NAG 0.5125 0.882353
22 NAG NAG NAG NAG NAG 0.5125 0.882353
23 NAG NAG NAG NAG NAG NAG NAG NAG 0.5125 0.882353
24 NDG NAG NAG NAG NAG 0.5125 0.882353
25 BMA MAN NAG 0.511905 0.957447
26 NAG NAG BMA MAN MAN NAG NAG 0.504762 0.886792
27 BMA Z4Y NAG 0.5 0.9375
28 GAL FUC A2G 0.494118 0.9375
29 BGC GAL NGA 0.493976 0.957447
30 NAG GAL NAG 0.488372 0.9
31 BGC GAL NAG 0.488372 0.957447
32 NAG AH0 0.483516 0.803571
33 NAG NOJ NAG 0.483146 0.854545
34 Z4S NAG NAG 0.483146 0.818182
35 NAG NOJ NAG NAG 0.483146 0.839286
36 BGC FUC GAL FUC A2G 0.478723 0.918367
37 AH0 NAG 0.477273 0.803571
38 AMU NAG 0.477273 0.865385
39 NDG BMA MAN MAN NAG GAL NAG 0.47619 0.882353
40 BGC GAL FUC A2G 0.473684 0.9375
41 GLA NAG GAL FUC 0.472527 0.9375
42 NDG BMA MAN MAN NAG MAN MAN 0.471698 0.9
43 NAG NAG BMA MAN MAN NAG GAL NAG 0.471698 0.882353
44 6Y2 0.467391 0.681818
45 LEC NGA 0.467391 0.681818
46 MAG 0.464789 0.857143
47 2F8 0.464789 0.857143
48 BGC GAL GLA NGA 0.461538 0.957447
49 NAG GAL FUC 0.45977 0.9375
50 NM9 NAG 0.454545 0.849057
51 YZ0 MAN Z4Y NAG MAN 0.453704 0.865385
52 BGC FUC GAL NAG 0.452632 0.9375
53 NAG FUC GAL FUC A2G 0.44898 0.882353
54 NAG GAL FUC FUC A2G 0.44898 0.882353
55 NAG GAL FUC A2G 0.448276 0.9375
56 Z3Q NGA 0.444444 0.737705
57 NAG NGO 0.443182 0.818182
58 NG1 0.44 0.724138
59 GN1 0.44 0.724138
60 GAL NAG GAL FUC FUC 0.4375 0.918367
61 AMV NAG AMU NAG 0.4375 0.849057
62 MAN NAG GAL 0.436782 0.957447
63 NGT NAG 0.433333 0.75
64 NDG FUC GAL FUC 0.433333 0.918367
65 NAG GAL FUC FUC 0.433333 0.918367
66 GYP GZL NAG 0.43299 0.901961
67 NAG BDP NAG BDP NAG BDP NAG 0.43299 0.865385
68 GAL NAG GAL 0.431818 0.957447
69 NAG GAL GLC NAG GLC RAM 0.431579 0.9
70 3YW 0.43038 0.914894
71 NAG BMA MAN MAN NAG GAL NAG GAL 0.428571 0.882353
72 NAG NAG BMA 0.428571 0.903846
73 C4W NAG FUC BMA MAN MAN NAG NAG 0.423729 0.833333
74 FHY 0.42268 0.818182
75 GAL NAG 0.421687 0.957447
76 SN5 SN5 0.421687 0.773585
77 NAG NGT NAG 0.421053 0.737705
78 NAG ASN NAG BMA MAN MAN NAG NAG 0.418803 0.821429
79 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.418803 0.836364
80 6ZC 0.418605 0.661538
81 LEC 0.418605 0.661538
82 HSH A2G FUC 0.418367 0.821429
83 MAG FUC GAL FUC 0.417582 0.9
84 MAG GAL FUC FUC 0.417582 0.9
85 MA8 0.416667 0.846154
86 GLC GAL NAG GAL FUC A2G 0.416667 0.882353
87 NAG NAG BMA MAN MAN MAN MAN 0.415929 0.903846
88 BGC GAL NAG GAL FUC 0.415842 0.9375
89 GYU 0.414634 0.77193
90 SER A2G 0.414634 0.846154
91 XYS GAL FUC 0.413793 0.744681
92 ALA NAG AH0 DAL 0.413462 0.789474
93 C4W NAG FUC BMA MAN NAG 0.412281 0.833333
94 GAL NAG GAL NAG GAL 0.408602 0.9
95 GLA NAG FUC GAL 0.408163 0.958333
96 GAL SIA NGA 0.407407 0.867925
97 GAL 2NA NAG 0.40566 0.849057
98 NAG NAG BMA MAN 0.40404 0.903846
99 GUM 0.401961 0.775862
Ligand no: 2; Ligand: NAG BMA MAN MAN NAG GAL NAG GAL; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG BMA MAN MAN NAG GAL NAG GAL 1 1
2 NDG BMA MAN MAN NAG GAL NAG 0.945055 1
3 NAG NAG BMA MAN MAN NAG GAL NAG 0.934783 1
4 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.894737 0.979592
5 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.827957 0.918367
6 NAG NAG MAN MAN MAN 0.784946 0.979592
7 NDG BMA MAN MAN NAG MAN MAN 0.78 0.979592
8 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.760417 0.918367
9 BMA MAN MAN NAG GAL NAG 0.744898 0.979592
10 NAG NAG BMA MAN NAG 0.734043 1
11 NAG GAL NAG GAL 0.719101 0.979592
12 NAG GAL NAG GAL NAG GAL 0.719101 1
13 BGC GAL NAG NAG GAL GAL 0.693878 0.979592
14 NAG NAG BMA MAN MAN NAG NAG 0.682243 0.924528
15 NAG NAG BMA MAN MAN MAN MAN 0.669725 0.90566
16 NAG NAG FUL BMA MAN MAN NAG GAL 0.663717 0.924528
17 NAG BMA MAN MAN MAN MAN 0.663265 0.918367
18 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.652542 0.844828
19 NAG GAL GAL 0.629214 0.918367
20 C4W NAG FUC BMA MAN MAN NAG 0.627119 0.942308
21 C4W NAG FUC BMA MAN MAN NAG NAG 0.623932 0.942308
22 NAG ASN NAG BMA MAN MAN NAG NAG 0.62069 0.890909
23 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.62069 0.907407
24 MAN MAN MAN NAG NAG 0.612245 0.979592
25 NAG GAL NAG 0.595745 0.979592
26 GAL NAG GAL NAG GAL 0.59375 0.979592
27 NAG GAL 0.581395 0.918367
28 MAN NAG GAL 0.580645 0.918367
29 C4W NAG FUC BMA MAN NAG GAL 0.564103 0.844828
30 GAL NAG GAL 0.557895 0.918367
31 NAG GAL BGC GAL 0.556701 0.918367
32 YZ0 MAN MAN NAG MAN 0.556604 0.92
33 NAG NAG NAG NAG NAG NAG NAG NAG 0.554348 1
34 NAG NAG NAG NAG NAG NAG 0.554348 1
35 NAG NAG NAG NAG NAG 0.554348 1
36 NDG NAG NAG NAG NAG 0.554348 1
37 NAG GAL FUC A2G 0.541667 0.938776
38 C4W NAG FUC BMA MAN NAG 0.537815 0.942308
39 BGC FUC GAL NAG GAL 0.537037 0.938776
40 NAG NAG BMA MAN 0.533333 0.90566
41 MAN BMA MAN MAN MAN MAN MAN 0.528846 0.68
42 NAG NAG NAG TMX 0.525253 0.844828
43 C4W NAG FUC BMA MAN 0.521739 0.942308
44 NAG GAL NAG GAL SIA 0.511811 0.924528
45 GDL NAG 0.51087 0.979592
46 NAG G6S 0.510204 0.707692
47 MAN MAN MAN MAN MAN MAN MAN 0.509804 0.673469
48 NAG GAL FUC GLA 0.509615 0.938776
49 BGC GAL GLA NGA 0.504854 0.918367
50 BGC GAL NAG GAL FUC 0.5 0.938776
51 BGC GAL NAG 0.5 0.918367
52 BGC GAL NAG GAL FUC FUC 0.495575 0.959184
53 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.495413 0.618182
54 1GN ACY GAL 1GN BGC ACY GAL BGC 0.495413 0.979592
55 MMA MAN NAG MAN NAG NAG 0.495327 0.98
56 BMA Z4Y NAG 0.495238 0.9
57 YZ0 MAN Z4Y NAG MAN 0.491667 0.867925
58 BGC GAL NAG GAL 0.490196 0.918367
59 NAG NAG BMA 0.490196 0.90566
60 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.487013 0.803279
61 BGC GAL GLA NGA GAL 0.485714 0.918367
62 C4W NAG FUC BMA 0.482143 0.942308
63 MMA MAN NAG 0.48 0.92
64 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.673077
65 A2G GAL NAG 0.461538 0.979592
66 GLC GAL NAG GAL FUC GLA 0.452991 0.938776
67 BGC GAL NAG GAL SIA 0.451128 0.924528
68 GLC GAL NAG GAL FUC A2G 0.446281 1
69 BGC GAL NGA 0.445545 0.918367
70 MAN MAN MAN GLC 0.443299 0.673469
71 BGC GAL NGA GAL 0.442308 0.918367
72 NAG GCU NAG GCD 0.434426 0.907407
73 BMA MAN NAG 0.432692 0.918367
74 NDG GLA GLC NAG GLC RAM 0.432 1
75 KDO MAN MAN MAN MAN MAN 0.432 0.673077
76 TVD GAL 0.431579 0.96
77 NDG NAG GLA NAG GLC RAM 0.430894 1
78 NDG GLA NAG GLC RAM 0.430894 1
79 MAN MAN NAG 0.428571 0.882353
80 NAG NAG BMA BMA 0.427273 0.907407
81 BMA NGT MAN MAN 0.424779 0.677966
82 NAG GAL FUC FUC 0.424528 0.959184
83 NDG FUC GAL FUC 0.424528 0.959184
84 NAG GAL UNU 0.422018 0.96
85 C4W NAG FUC BMA MAN NAG GAL SIA 0.421053 0.803279
86 BGC GAL GLA 0.421053 0.673469
87 NAG GAL FUC 0.419048 0.938776
88 BGC BGC BGC BGC BGC BGC BGC BGC 0.418367 0.673469
89 A2G GAL 0.416667 0.918367
90 BGC FUC GAL NAG 0.415929 0.938776
91 GAL NAG GAL FUC FUC 0.415929 0.959184
92 OPM MAN MAN 0.413462 0.607143
93 BGC GAL FUC A2G 0.408696 0.938776
94 BGC BGC BGC BGC 0.407767 0.673469
95 GLA NAG GAL FUC 0.405405 0.938776
96 BGC GLC GLC 0.40404 0.673469
97 MMA MAN MAN 0.40404 0.68
98 BGC GLC GLC GLC 0.401961 0.673469
99 GLC GLC GLC GLC GLC 0.401961 0.673469
100 NAG NAG NAG 0.401869 0.924528
101 NAG NAG NAG NAG 0.401869 0.924528
102 NAG NAG NAG NAG NAG NAG NAG 0.401869 0.924528
103 NAG GAL 5N6 0.4 0.907407
104 GAL NAG 0.4 0.918367
105 GYP GZL NAG 0.4 0.867925
106 NAG FUC GAL 0.4 0.938776
107 SN5 SN5 0.4 0.811321
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: NAG BMA MAN MAN NAG GAL NAG GAL; 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 : 1LOF; Ligand: NAG BMA MAN MAN NAG GAL NAG 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: 1lof.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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