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 BMA NAG NAG MAN NAG GAL GAL A:501;
Valid;
none;
submit data
1438.3 n/a O=C(N...
MAN MAN NAG C:511;
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...
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 473 families.
1 1LOF - MAN BMA NAG NAG MAN NAG GAL GAL 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 355 families.
1 1LOF - MAN BMA NAG NAG MAN NAG GAL GAL 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 272 families.
1 1LOF - MAN BMA NAG NAG MAN NAG GAL GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN BMA NAG NAG MAN NAG GAL GAL; Similar ligands found: 146
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN BMA NAG NAG MAN NAG GAL GAL 1 1
2 NAG MAN GAL BMA NDG MAN NAG GAL 1 1
3 NAG MAN MAN MAN NAG GAL NAG GAL 1 1
4 NAG MAN GAL BMA NAG MAN NAG GAL 1 1
5 NAG MAN BMA NDG MAN NAG GAL 0.945055 1
6 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.894737 0.979592
7 NAG BMA NAG MAN MAN NAG NAG 0.880435 1
8 NAG NAG BMA MAN MAN 0.784946 0.979592
9 NAG MAN GAL MAN MAN NAG GAL 0.784946 0.979592
10 MAN MAN NAG MAN NAG 0.784946 0.979592
11 M5G 0.78 0.979592
12 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.760417 0.918367
13 NAG GAL GAL NAG 0.719101 0.979592
14 GAL NAG GAL NAG GAL NAG 0.719101 1
15 NAG BMA MAN MAN MAN MAN 0.684211 0.918367
16 NAG NAG BMA MAN MAN NAG NAG 0.682243 0.924528
17 NAG NAG BMA MAN MAN MAN MAN 0.669725 0.90566
18 GLA GAL NAG 0.629214 0.918367
19 MAN BMA NAG 0.629214 0.918367
20 NAG GAL GAL 0.629214 0.918367
21 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.626168 0.849057
22 GLC GAL NAG GAL 0.621053 0.918367
23 ASN NAG NAG BMA MAN MAN NAG NAG 0.615385 0.907407
24 NAG MAN MAN MAN NAG 0.612245 0.979592
25 NAG GAL NAG 0.595745 0.979592
26 NAG GAL GAL NAG GAL 0.59375 0.979592
27 NAG NAG BMA MAN NAG 0.587156 0.924528
28 NDG GAL 0.581395 0.918367
29 NLC 0.581395 0.918367
30 GAL NDG 0.581395 0.918367
31 GAL NAG MAN 0.580645 0.918367
32 MAN NAG GAL 0.580645 0.918367
33 NAG MAN MAN 0.556701 0.918367
34 NAG MAN BMA 0.556701 0.918367
35 GAL BGC NAG GAL 0.556701 0.918367
36 WZ5 0.556604 0.92
37 NAG NAG NAG NAG 0.554348 1
38 NAG NAG NAG NAG NAG NAG NAG NAG 0.554348 1
39 NDG NAG NAG NDG NAG 0.554348 1
40 NAG NAG NAG 0.554348 1
41 NDG NAG NAG NAG 0.554348 1
42 NAG NAG NAG NAG NDG 0.554348 1
43 NAG NAG NAG NAG NDG NAG 0.554348 1
44 NAG NAG NAG NAG NAG NAG 0.554348 1
45 CTO 0.554348 1
46 NAG NAG NAG NDG 0.554348 1
47 NAG NAG NDG 0.554348 1
48 NDG NAG NAG 0.554348 1
49 NDG NAG NAG NDG 0.554348 1
50 NAG NAG NAG NAG NAG 0.554348 1
51 DR2 0.541667 0.938776
52 NDG GAL FUC 0.541667 0.938776
53 FUC GAL NAG 0.541667 0.938776
54 FUL GAL NAG 0.541667 0.938776
55 FUC GAL NDG 0.541667 0.938776
56 FUC BGC GAL NAG GAL 0.537037 0.938776
57 NAG NAG BMA MAN 0.533333 0.90566
58 MAN MAN MAN BMA MAN MAN MAN 0.528846 0.68
59 TCG 0.525253 0.844828
60 CTO TMX 0.525253 0.844828
61 MAN MAN MAN BMA MAN 0.520408 0.673469
62 CBS CBS 0.51087 0.979592
63 NAG NDG 0.51087 0.979592
64 NAG GDL 0.51087 0.979592
65 CBS 0.51087 0.979592
66 G6S NAG 0.510204 0.714286
67 GAL NAG GAL 0.51 0.882353
68 NGA GLA GAL BGC 0.504854 0.918367
69 FUC GAL NAG GAL BGC 0.5 0.938776
70 NAG GAL BGC 0.5 0.918367
71 BGC GAL NAG GAL FUC FUC 0.495575 0.959184
72 GLC GAL NAG GAL FUC FUC 0.495575 0.959184
73 1GN ACY GAL ACY 1GN BGC GAL BGC 0.495413 0.979592
74 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.495413 0.979592
75 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.495413 0.618182
76 MMA MAN NAG MAN NAG NAG 0.495327 0.98
77 WZ4 0.491667 0.867925
78 NAG NAG BMA 0.490196 0.90566
79 LAT NAG GAL 0.490196 0.918367
80 BGC GAL NAG GAL 0.490196 0.918367
81 NAG NDG BMA 0.490196 0.90566
82 GAL NAG GAL BGC 0.490196 0.918367
83 A2G GAL NAG FUC 0.486239 1
84 GAL NGA GLA BGC GAL 0.485714 0.918367
85 NAG MAN MMA 0.48 0.92
86 NAG NAG NAG NAG NAG NAG NAG 0.476636 0.907407
87 FUC GAL NAG A2G 0.468468 0.907407
88 NAG FUC 0.468085 0.897959
89 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.673077
90 GLA GAL NAG FUC GAL GLC 0.452991 0.938776
91 SIA GAL NAG GAL BGC 0.451128 0.924528
92 BGC GAL NAG SIA GAL 0.451128 0.924528
93 SIA GAL NAG GAL GLC 0.451128 0.924528
94 GLC GAL NAG GAL FUC A2G 0.446281 1
95 A2G GAL NAG FUC GAL GLC 0.446281 1
96 NGA GAL BGC 0.445545 0.918367
97 MAN MAN MAN GLC 0.443299 0.673469
98 NAG GCU NAG GCD 0.434426 0.907407
99 KDO MAN MAN MAN MAN MAN 0.432 0.673077
100 8VZ 0.431579 0.96
101 MAN MAN NAG 0.428571 0.882353
102 NAG NAG BMA BMA 0.427273 0.907407
103 BMA NGT MAN MAN 0.424779 0.677966
104 GAL NDG FUC FUC 0.424528 0.959184
105 BDZ 0.424528 0.959184
106 FUC NDG GAL FUC 0.424528 0.959184
107 BCW 0.424528 0.959184
108 FUC GAL NAG FUC 0.424528 0.959184
109 FUC GAL NDG FUC 0.424528 0.959184
110 GAL NAG FUC FUC 0.424528 0.959184
111 FUC NAG GAL FUC 0.424528 0.959184
112 UNU GAL NAG 0.422018 0.96
113 GLA GAL GAL 0.421053 0.673469
114 GLA GAL BGC 0.421053 0.673469
115 BMA MAN MAN 0.421053 0.673469
116 MAN MAN BMA MAN 0.42 0.673469
117 MAN MAN MAN MAN 0.42 0.673469
118 DR3 0.419048 0.938776
119 NAG GAL FUC 0.419048 0.938776
120 BGC BGC BGC BGC BGC BGC BGC BGC 0.418367 0.673469
121 BGC BGC BGC BGC 0.418367 0.673469
122 GAL NGA 0.416667 0.918367
123 A2G GAL 0.416667 0.918367
124 GAL A2G 0.416667 0.918367
125 FUC BGC GAL NAG 0.415929 0.938776
126 FUC GAL NAG GAL FUC 0.415929 0.959184
127 GAL NGA A2G 0.415842 0.96
128 OPM MAN MAN 0.413462 0.607143
129 HS2 0.413462 0.882353
130 4U1 0.41129 0.942308
131 NAG GAL SIA 0.41129 0.924528
132 GLC GLC GLC GLC GLC GLC 0.41 0.673469
133 A2G GAL BGC FUC 0.408696 0.938776
134 MAN MAN BMA 0.404255 0.673469
135 MAN MMA MAN 0.40404 0.68
136 GLC GLC GLC BGC 0.401961 0.673469
137 MAN BMA MAN MAN MAN 0.401961 0.673469
138 M5S 0.401961 0.673469
139 GAL NAG SIA GAL 0.401515 0.924528
140 SIA GAL NAG GAL 0.401515 0.924528
141 SN5 SN5 0.4 0.811321
142 GAL NDG FUC 0.4 0.938776
143 GAL NAG FUC 0.4 0.938776
144 FUC NDG GAL 0.4 0.938776
145 FUC NAG GAL 0.4 0.938776
146 3PV 0.4 0.867925
Ligand no: 2; Ligand: MAN MAN NAG; Similar ligands found: 131
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN NAG 1 1
2 NAG MAN MMA 0.636364 0.918367
3 GAL NAG GAL 0.632911 1
4 NAG MAN MAN MAN NAG 0.6 0.9
5 MAN NAG 0.575342 0.957447
6 NGA GAL 0.567568 0.957447
7 GAL NAG 0.567568 0.957447
8 NAG GAL 0.567568 0.957447
9 NAG MAN BMA 0.554217 0.957447
10 NAG MAN MAN 0.554217 0.957447
11 NAG NAG 0.551282 0.884615
12 NDG NAG 0.545455 0.882353
13 CBS 0.539474 0.9
14 NAG A2G 0.539474 0.9
15 NAG NDG 0.539474 0.9
16 CBS CBS 0.539474 0.9
17 NAG NGA 0.539474 0.9
18 NAG GDL 0.539474 0.9
19 MMA MAN NAG MAN NAG NAG 0.533333 0.865385
20 3QL 0.530864 0.833333
21 WZ5 0.521277 0.918367
22 NAG MBG 0.519481 0.918367
23 MBG A2G 0.512821 0.918367
24 A2G MBG 0.512821 0.918367
25 NAG NAG NAG NAG 0.5125 0.882353
26 NDG NAG NAG NDG NAG 0.5125 0.882353
27 NAG NAG NAG NAG NAG NAG NAG NAG 0.5125 0.882353
28 NAG NAG NAG NDG 0.5125 0.882353
29 NAG NAG NAG 0.5125 0.882353
30 NAG NAG NAG NAG NAG NAG 0.5125 0.882353
31 NAG NAG NAG NAG NDG NAG 0.5125 0.882353
32 NDG NAG NAG NAG 0.5125 0.882353
33 NDG NAG NAG 0.5125 0.882353
34 NAG NAG NAG NAG NDG 0.5125 0.882353
35 NAG NAG NAG NAG NAG 0.5125 0.882353
36 CTO 0.5125 0.882353
37 NAG NAG NDG 0.5125 0.882353
38 NDG NAG NAG NDG 0.5125 0.882353
39 NAG NAG BMA MAN MAN NAG NAG 0.504762 0.886792
40 NAG BMA NAG MAN MAN NAG NAG 0.49505 0.882353
41 NGA GAL FUC 0.494118 0.9375
42 A2G GLA FUC 0.494118 0.9375
43 FUC GL0 A2G 0.494118 0.9375
44 FUC GLA A2G 0.494118 0.9375
45 FUC GAL A2G 0.494118 0.9375
46 A2G GAL FUC 0.494118 0.9375
47 NGA GAL BGC 0.493976 0.957447
48 NAG GAL NAG 0.488372 0.9
49 NAG GAL BGC 0.488372 0.957447
50 NAG AH0 0.483516 0.803571
51 NAG NAG BMA MAN NAG 0.480392 0.886792
52 GLC FUC GAL FUC A2G 0.478723 0.918367
53 BGC FUC GAL FUC A2G 0.478723 0.918367
54 NAG NAG NAG NAG NAG NAG NAG 0.478261 0.87037
55 AH0 NAG 0.477273 0.803571
56 NAG AMU 0.477273 0.865385
57 NAG MUB 0.477273 0.865385
58 NAG MAN BMA NDG MAN NAG GAL 0.47619 0.882353
59 A2G GAL BGC FUC 0.473684 0.9375
60 A2G GAL NAG FUC 0.473684 0.882353
61 M5G 0.471698 0.9
62 NAG MAN GAL MAN MAN NAG GAL 0.469388 0.9
63 LEC NGA 0.467391 0.681818
64 6Y2 0.467391 0.681818
65 NOJ NAG NAG 0.466667 0.87037
66 NOJ NAG NAG NAG 0.466667 0.854545
67 MAG 0.464789 0.857143
68 2F8 0.464789 0.857143
69 NGA GLA GAL BGC 0.461538 0.957447
70 NAG GAL FUC 0.45977 0.9375
71 DR3 0.45977 0.9375
72 DLD 0.455556 0.75
73 NAG NM9 0.454545 0.849057
74 WZ4 0.453704 0.865385
75 NAG NGO 0.453488 0.833333
76 FUC BGC GAL NAG 0.452632 0.9375
77 FUC GAL NAG A2G FUC 0.44898 0.882353
78 NAG GAL FUC FUC A2G 0.44898 0.882353
79 NDG GAL FUC 0.448276 0.9375
80 FUC GAL NAG 0.448276 0.9375
81 FUC GAL NDG 0.448276 0.9375
82 DR2 0.448276 0.9375
83 FUL GAL NAG 0.448276 0.9375
84 GN1 0.44 0.724138
85 NG1 0.44 0.724138
86 FUC GAL NAG A2G 0.438776 0.87037
87 FUC GAL NAG GAL FUC 0.4375 0.918367
88 NAG AMU NAG AMV 0.4375 0.849057
89 GAL NAG MAN 0.436782 0.957447
90 MAN NAG GAL 0.436782 0.957447
91 NGT NAG 0.433333 0.75
92 FUC NAG GAL FUC 0.433333 0.918367
93 FUC GAL NDG FUC 0.433333 0.918367
94 FUC NDG GAL FUC 0.433333 0.918367
95 FUC GAL NAG FUC 0.433333 0.918367
96 BCW 0.433333 0.918367
97 GAL NAG FUC FUC 0.433333 0.918367
98 GAL NDG FUC FUC 0.433333 0.918367
99 BDZ 0.433333 0.918367
100 3PV 0.43299 0.901961
101 NAG GCU NAG GCU NAG GCU 5AX 0.43299 0.865385
102 NAG BDP NAG BDP NAG BDP NAG 0.43299 0.865385
103 3YW 0.43038 0.914894
104 NAG MAN GAL BMA NAG MAN NAG GAL 0.428571 0.882353
105 NAG NDG BMA 0.428571 0.903846
106 NAG MAN MAN MAN NAG GAL NAG GAL 0.428571 0.882353
107 NAG MAN GAL BMA NDG MAN NAG GAL 0.428571 0.882353
108 MAN BMA NAG NAG MAN NAG GAL GAL 0.428571 0.882353
109 NAG NAG BMA 0.428571 0.903846
110 SN5 SN5 0.421687 0.773585
111 NAG NAG NGT 0.421053 0.737705
112 LEC 0.418605 0.661538
113 6ZC 0.418605 0.661538
114 FUC GAL MAG FUC 0.417582 0.9
115 MA8 0.416667 0.846154
116 A2G GAL NAG FUC GAL GLC 0.416667 0.882353
117 GLC GAL NAG GAL FUC A2G 0.416667 0.882353
118 NAG NAG BMA MAN MAN MAN MAN 0.415929 0.903846
119 FUC GAL NAG GAL BGC 0.415842 0.9375
120 ASN NAG NAG BMA MAN MAN NAG NAG 0.415254 0.836364
121 GYU 0.414634 0.77193
122 XYS GAL FUC 0.413793 0.744681
123 BGA 0.41 0.821429
124 NAG GAL GAL NAG GAL 0.408602 0.9
125 FUC NAG GLA GAL 0.408163 0.958333
126 SIA GAL NGA 0.407407 0.867925
127 NAG GAL 2NA 0.40566 0.849057
128 GLC GAL NAG GAL 0.404255 0.957447
129 NAG NAG BMA MAN 0.40404 0.903846
130 GUM 0.401961 0.775862
131 ALA NAG AH0 DAL 0.401869 0.789474
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LOF; Ligand: MAN BMA NAG NAG MAN NAG GAL GAL; Similar sites found: 26
This union binding pocket(no: 1) in the query (biounit: 1lof.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5TTJ FAD 0.04237 0.40086 3.31492
2 4IV9 FAD 0.04021 0.40292 3.8674
3 3VY6 BGC BGC 0.00003243 0.53301 4.96454
4 4YNU LGC 0.02753 0.41797 4.97238
5 2GUC MAN 0.00001856 0.5465 6.55738
6 2NU5 NAG 0.00002584 0.54027 6.55738
7 2NUO BGC 0.00005615 0.5146 6.55738
8 2GUE NAG 0.00002027 0.49007 6.55738
9 2GUD MAN 0.00001994 0.40212 6.55738
10 2HYR BGC GLC 0.00002113 0.40039 6.55738
11 2DUR MAN MAN 0.00001966 0.43352 8.28729
12 3Q9T FAY 0.02692 0.43554 8.83978
13 5HSA FAS 0.03168 0.40916 9.39227
14 1ZK4 NAP 0.0484 0.44393 9.61539
15 1ZK4 AC0 0.0484 0.44393 9.61539
16 2Q7V FAD 0.0469 0.4003 9.94475
17 2JB2 FAD 0.04032 0.40198 11.6022
18 2JB2 PHE 0.04193 0.40198 11.6022
19 2VVM FAD 0.01267 0.42874 13.4615
20 2Q2V NAD 0.046 0.41563 13.4615
21 4ZNO SUC 0.00009334 0.40137 13.4615
22 3CTY FAD 0.03367 0.41028 15.3846
23 2E5V FAD 0.02078 0.42036 19.2308
24 1QO8 FAD 0.02897 0.41203 25
25 2R4J 13P 0.0456 0.40849 25
26 2R4J FAD 0.0456 0.40849 25
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