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Receptor
PDB id Resolution Class Description Source Keywords
1LTI 2.13 Å NON-ENZYME: TOXIN_VIRAL HEAT-LABILE ENTEROTOXIN (LT-I) COMPLEX WITH T-ANTIGEN ESCHERICHIA COLI ADP-RIBOSYL TRANSFERASE ENTEROTOXIN
Ref.: TUMOR MARKER DISACCHARIDE D-GAL-BETA 1, 3-GALNAC COMPLEXED TO HEAT-LABILE ENTEROTOXIN FROM ESCHERICHIA COLI. PROTEIN SCI. V. 5 1184 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL D:104;
E:104;
H:104;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
GAL A2G G:104;
Invalid;
none;
submit data
383.35 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LTI 2.13 Å NON-ENZYME: TOXIN_VIRAL HEAT-LABILE ENTEROTOXIN (LT-I) COMPLEX WITH T-ANTIGEN ESCHERICHIA COLI ADP-RIBOSYL TRANSFERASE ENTEROTOXIN
Ref.: TUMOR MARKER DISACCHARIDE D-GAL-BETA 1, 3-GALNAC COMPLEXED TO HEAT-LABILE ENTEROTOXIN FROM ESCHERICHIA COLI. PROTEIN SCI. V. 5 1184 1996
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1LTA - GAL C6 H12 O6 C([C@@H]1[....
2 1LTI - GAL C6 H12 O6 C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1LTA - GAL C6 H12 O6 C([C@@H]1[....
2 1LTI - GAL C6 H12 O6 C([C@@H]1[....
3 1LTT - GAL BGC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1LTA - GAL C6 H12 O6 C([C@@H]1[....
2 1LTI - GAL C6 H12 O6 C([C@@H]1[....
3 1LTT - GAL BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LTI; Ligand: GAL; Similar sites found with APoc: 28
This union binding pocket(no: 1) in the query (biounit: 1lti.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2JAH NDP 2.60417
2 5ZZ6 NAD 3.8835
3 4ZA2 NAD 4.16667
4 5MR6 FAD 4.85437
5 2PQB GG9 5.82524
6 3ZPG 5GP 6.25
7 5EYG NAP 10.4167
8 4GU5 FAD 10.4167
9 4NE2 ADP 12.5
10 4NE2 SH2 12.5
11 4RF2 NAP 12.5
12 3U5S FAD 12.6984
13 1JBW ACQ 13.5922
14 1JA9 NDP 13.5922
15 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 13.5922
16 5U98 1KX 13.5922
17 2O1V ADP 14.5631
18 1YB5 NAP 14.5833
19 5AZ1 NDP 14.5833
20 6FDF SAH 18.75
21 3TN7 NJP 20.3883
22 3K60 ADP 20.8333
23 6B5G NAD 20.8333
24 6B5G CQY 20.8333
25 2XCM ADP 24.2718
26 1VG0 GER 24.2718
27 1O9J NAD 29.1262
28 2JEN GLC GLC BGC XYS BGC XYS 43.75
Pocket No.: 2; Query (leader) PDB : 1LTI; Ligand: GAL; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 1lti.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3HLX PQQ 4.6875
2 4CZG QH3 4.85437
3 6FK3 PPI 6.25
4 3G4Q MCH 6.25
5 5BZ4 COA 6.79612
6 3HP8 SUC 7.27273
7 3ZRR PXG 8.73786
8 3MBG FAD 11.5108
9 4YMU ARG 12.5
10 3W8X FAD 16.5049
11 4E2J MOF 17.4757
12 5LNQ CAA 22.9167
13 1J0I GLC GLC GLC 22.9167
14 5D85 P1T 25
Pocket No.: 3; Query (leader) PDB : 1LTI; Ligand: GAL; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 1lti.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4B6C B5U 2.60417
2 6BQC LOP 5.82524
3 6D28 NEC 5.82524
4 2GFD RDA 6.79612
5 3UST FAD 12.6214
6 5M37 9SZ 22.9167
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