Receptor
PDB id Resolution Class Description Source Keywords
5GLT 2 Å NON-ENZYME: BINDING TL-GAL WITH LNT TOXASCARIS LEONINA CRYSTAL STRUCTURES CARBOHYDRATES TL-GALECTIN ANTI-INFLAMMSUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR CARBOHYDRATE RECOGNITION AND ANTI-INFLAMMATORY MODULATION BY GASTROINTESTINAL NE PARASITE TOXASCARIS LEONINA GALECTIN J. BIOL. CHEM. V. 291 25326 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC GAL NAG GAL A:301;
B:305;
B:301;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 24 uM
707.632 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GLT 2 Å NON-ENZYME: BINDING TL-GAL WITH LNT TOXASCARIS LEONINA CRYSTAL STRUCTURES CARBOHYDRATES TL-GALECTIN ANTI-INFLAMMSUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR CARBOHYDRATE RECOGNITION AND ANTI-INFLAMMATORY MODULATION BY GASTROINTESTINAL NE PARASITE TOXASCARIS LEONINA GALECTIN J. BIOL. CHEM. V. 291 25326 2016
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5GLU Kd = 96 uM SIA GAL GLC n/a n/a
2 5GLT Kd = 24 uM BGC GAL NAG GAL n/a n/a
3 5GM0 Kd = 111 uM GAL BGC n/a n/a
4 5GLZ Kd = 78 uM BGC C6 H12 O6 C([C@@H]1[....
5 5GLW Kd = 54 uM GAL NAG n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5GLU Kd = 96 uM SIA GAL GLC n/a n/a
2 5GLT Kd = 24 uM BGC GAL NAG GAL n/a n/a
3 5GM0 Kd = 111 uM GAL BGC n/a n/a
4 5GLZ Kd = 78 uM BGC C6 H12 O6 C([C@@H]1[....
5 5GLW Kd = 54 uM GAL NAG n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5GLU Kd = 96 uM SIA GAL GLC n/a n/a
2 5GLT Kd = 24 uM BGC GAL NAG GAL n/a n/a
3 5GM0 Kd = 111 uM GAL BGC n/a n/a
4 5GLZ Kd = 78 uM BGC C6 H12 O6 C([C@@H]1[....
5 5GLW Kd = 54 uM GAL NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC GAL NAG GAL; Similar ligands found: 272
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL NAG GAL 1 1
2 GAL NAG GAL GLC 1 1
3 GAL NGA GLA BGC GAL 0.942857 1
4 LAT NAG GAL 0.786667 1
5 GLC GAL NAG GAL 0.786667 1
6 NAG GAL BGC 0.780822 1
7 GAL GLC NAG GAL FUC 0.768293 0.978261
8 FUC GAL NAG GAL BGC 0.768293 0.978261
9 GLC NAG GAL GAL FUC 0.768293 0.978261
10 GLA GAL NAG FUC GAL GLC 0.764706 0.978261
11 NGA GLA GAL BGC 0.753247 1
12 GLA GAL GAL 0.716418 0.733333
13 A2G GAL NAG FUC GAL GLC 0.684783 0.918367
14 GLC GAL NAG GAL FUC A2G 0.684783 0.918367
15 BGC BGC BGC BGC BGC BGC BGC BGC 0.676056 0.733333
16 GLA GAL NAG 0.666667 1
17 MAN BMA NAG 0.666667 1
18 BGC GAL NAG GAL FUC FUC 0.655556 0.957447
19 GLC GAL NAG GAL FUC FUC 0.655556 0.957447
20 NAG GAL GAL NAG 0.641975 0.9375
21 NAG GAL GAL NAG GAL 0.641975 0.9375
22 GAL NAG GAL NAG GAL NAG 0.641975 0.918367
23 NGA GAL BGC 0.615385 1
24 CBK 0.606061 0.733333
25 BGC GAL 0.606061 0.733333
26 LBT 0.606061 0.733333
27 N9S 0.606061 0.733333
28 B2G 0.606061 0.733333
29 MAL 0.606061 0.733333
30 BMA GAL 0.606061 0.733333
31 GLA GAL 0.606061 0.733333
32 BGC BMA 0.606061 0.733333
33 LAT 0.606061 0.733333
34 GLA GLA 0.606061 0.733333
35 CBI 0.606061 0.733333
36 GLC GAL 0.606061 0.733333
37 MAB 0.606061 0.733333
38 GAL BGC 0.606061 0.733333
39 NAG GAL NAG 0.604938 0.9375
40 GAL MGC 0.589041 0.957447
41 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.588889 0.9375
42 1GN ACY GAL ACY 1GN BGC GAL BGC 0.588889 0.9375
43 FUC BGC GAL NAG GAL 0.586957 0.978261
44 GAL NAG GAL BGC 0.574713 0.957447
45 GLA GAL GLC 0.571429 0.733333
46 MLR 0.571429 0.733333
47 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.733333
48 BGC GLC GLC GLC GLC 0.571429 0.733333
49 BMA MAN BMA 0.571429 0.733333
50 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.733333
51 BMA BMA BMA BMA BMA 0.571429 0.733333
52 DXI 0.571429 0.733333
53 GAL GAL GAL 0.571429 0.733333
54 MAN BMA BMA BMA BMA 0.571429 0.733333
55 BGC BGC BGC BGC 0.571429 0.733333
56 MAN BMA BMA 0.571429 0.733333
57 GLC BGC GLC 0.571429 0.733333
58 GLC BGC BGC BGC BGC 0.571429 0.733333
59 CE8 0.571429 0.733333
60 BGC GLC GLC GLC 0.571429 0.733333
61 CT3 0.571429 0.733333
62 MAN BMA BMA BMA BMA BMA 0.571429 0.733333
63 BGC BGC BGC BGC BGC BGC 0.571429 0.733333
64 MTT 0.571429 0.733333
65 BGC BGC GLC 0.571429 0.733333
66 GLC BGC BGC BGC 0.571429 0.733333
67 BGC BGC BGC BGC BGC 0.571429 0.733333
68 MT7 0.571429 0.733333
69 BGC BGC BGC GLC 0.571429 0.733333
70 BGC BGC BGC 0.571429 0.733333
71 GLC BGC BGC BGC BGC BGC 0.571429 0.733333
72 CEX 0.571429 0.733333
73 CE6 0.571429 0.733333
74 BGC GLC GLC GLC GLC GLC GLC 0.571429 0.733333
75 GLC GLC GLC GLC GLC 0.571429 0.733333
76 GLC GAL GAL 0.571429 0.733333
77 CE5 0.571429 0.733333
78 BMA BMA BMA BMA BMA BMA 0.571429 0.733333
79 B4G 0.571429 0.733333
80 GLC BGC BGC 0.571429 0.733333
81 MAN MAN BMA BMA BMA BMA 0.571429 0.733333
82 GLC GLC BGC 0.571429 0.733333
83 BGC GLC GLC 0.571429 0.733333
84 CTR 0.571429 0.733333
85 BMA BMA BMA 0.571429 0.733333
86 GLA GAL BGC 0.571429 0.733333
87 CTT 0.571429 0.733333
88 CEY 0.571429 0.733333
89 GAL NGA 0.567568 1
90 NDG GAL 0.567568 1
91 GAL A2G 0.567568 1
92 A2G GAL 0.567568 1
93 NLC 0.567568 1
94 GAL NDG 0.567568 1
95 GAL NGA A2G 0.5625 0.9375
96 FUC BGC GAL NAG 0.555556 0.978261
97 GAL NGA GAL BGC SIA 0.554545 0.865385
98 BGC GAL SIA NGA GAL 0.554545 0.865385
99 GAL NGA SIA GAL BGC 0.554545 0.865385
100 SIA GAL BGC NGA GAL 0.554545 0.865385
101 A2G GAL BGC FUC 0.543478 0.978261
102 NAG NAG BMA MAN 0.532609 0.865385
103 GAL NAG MAN 0.53012 1
104 GLA NAG GAL FUC 0.52809 0.978261
105 GAL NAG GAL FUC 0.52809 0.978261
106 GLC BGC BGC BGC BGC BGC BGC 0.520548 0.733333
107 BGC BGC BGC GLC BGC BGC 0.520548 0.733333
108 BGC GLA GAL FUC 0.517647 0.755556
109 8VZ 0.506494 0.918367
110 GAL SER A2G 0.505882 0.882353
111 NGA SER GAL 0.505882 0.882353
112 GAL TNR 0.505882 0.882353
113 A2G SER GAL 0.505882 0.882353
114 GAL A2G MBN 0.505747 0.957447
115 NAG BMA MAN MAN MAN MAN 0.505263 1
116 NAG NAG BMA MAN MAN 0.505155 0.9375
117 SIA GAL NAG GAL GLC 0.504348 0.849057
118 BGC GAL NAG SIA GAL 0.504348 0.849057
119 SIA GAL NAG GAL BGC 0.504348 0.849057
120 XYT 0.5 0.6
121 GAL A2G THR 0.494253 0.882353
122 NAG GAL 0.493671 1
123 GAL NAG 0.493671 1
124 BGC GAL SIA SIA GAL NGA 0.491228 0.865385
125 BGC GAL SIA NGA GAL SIA 0.491228 0.865385
126 MAN BMA NAG NAG MAN NAG GAL GAL 0.490196 0.918367
127 NAG MAN MAN MAN NAG GAL NAG GAL 0.490196 0.918367
128 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.49 1
129 GAL BGC NAG GAL 0.488636 1
130 NAG MBG 0.4875 0.957447
131 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.484848 0.9
132 NAG MAN BMA NDG MAN NAG GAL 0.481132 0.918367
133 NAG NAG BMA MAN MAN NAG GAL NAG 0.476636 0.918367
134 M5G 0.476636 0.9375
135 BMA BMA GLA BMA BMA 0.47619 0.733333
136 LAT FUC 0.47561 0.755556
137 8B7 0.47561 0.755556
138 FUC GAL GLC 0.47561 0.755556
139 GLC GAL FUC 0.47561 0.755556
140 BGC GAL FUC 0.47561 0.755556
141 GAL A2G NPO 0.472527 0.714286
142 NPO A2G GAL 0.472527 0.714286
143 GAL NAG GAL 0.47191 0.957447
144 NAG BMA 0.469136 0.897959
145 BMA BMA BMA BMA 0.469136 0.733333
146 NAG BDP NAG BDP NAG BDP NAG 0.46875 0.9
147 ABD 0.467391 0.977778
148 SLT 0.466019 0.918367
149 GLC GLC GLC BGC 0.464286 0.733333
150 GAL SIA NGA GAL 0.463636 0.865385
151 SIA GAL NGA GAL 0.463636 0.865385
152 MAN MAN MAN GLC 0.463415 0.733333
153 FUC C4W NAG BMA MAN 0.462264 0.865385
154 GAL NDG FUC 0.45977 0.978261
155 FUC NDG GAL 0.45977 0.978261
156 GAL MBG 0.459459 0.73913
157 MDM 0.459459 0.73913
158 M13 0.459459 0.73913
159 SIA SIA GAL NGA GAL 0.458333 0.849057
160 FUC GAL NAG GAL FUC 0.458333 0.957447
161 P3M 0.457831 0.6
162 CG3 A2G GAL 0.457447 0.703125
163 SIA GAL BGC 0.457143 0.9
164 GAL BGC SIA 0.457143 0.9
165 BGC SIA GAL 0.457143 0.9
166 GLA GLC SIA 0.457143 0.9
167 SIA GAL GLC 0.457143 0.9
168 BGC GAL SIA 0.457143 0.9
169 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.454545 0.9375
170 LB2 0.452055 0.733333
171 M3M 0.452055 0.733333
172 MAN GLC 0.452055 0.733333
173 NGR 0.452055 0.733333
174 NAG MAN BMA MAN NAG GAL 0.451923 0.9375
175 NAG NGA 0.451219 0.9375
176 NAG A2G 0.451219 0.9375
177 NAG GDL 0.451219 0.9375
178 CBS CBS 0.451219 0.9375
179 CBS 0.451219 0.9375
180 NDG NAG 0.451219 0.9375
181 NAG A2G GAL 0.450549 0.9375
182 NAG NDG BMA 0.450549 0.865385
183 NAG NAG BMA 0.450549 0.865385
184 GAL FUC 0.447368 0.733333
185 MBG A2G 0.445783 0.957447
186 A2G MBG 0.445783 0.957447
187 NAG MAN BMA 0.443182 1
188 MAG FUC GAL 0.443182 0.9375
189 GLA EGA 0.441558 0.73913
190 DR5 0.44 0.73913
191 MMA MAN 0.44 0.73913
192 4U0 0.439252 0.9
193 NAG FUC 0.439024 0.934783
194 LAT GLA 0.438356 0.733333
195 FUC GAL NAG 0.438202 0.978261
196 NDG GAL FUC 0.438202 0.978261
197 NAG MAN MMA 0.438202 0.957447
198 GAL NAG FUC 0.438202 0.978261
199 FUL GAL NAG 0.438202 0.978261
200 FUC GAL NDG 0.438202 0.978261
201 G6S NAG 0.438202 0.725806
202 DR2 0.438202 0.978261
203 NAG GAL FUC 0.438202 0.978261
204 SIA NAG GAL GAL 0.4375 0.849057
205 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.436508 0.833333
206 GAL LOG 0.435294 0.803571
207 FUC BGC GAL 0.433735 0.755556
208 DR3 0.433333 0.978261
209 NDG NAG NAG 0.430233 0.918367
210 NAG NAG NAG NAG NDG 0.430233 0.918367
211 NAG NAG NAG NAG NAG 0.430233 0.918367
212 NAG NAG NDG 0.430233 0.918367
213 NAG NAG NAG NAG NAG NAG NAG NAG 0.430233 0.918367
214 NAG NAG NAG NDG 0.430233 0.918367
215 NDG NAG NAG NDG 0.430233 0.918367
216 NAG NAG NAG NAG NAG NAG 0.430233 0.918367
217 CTO 0.430233 0.918367
218 NAG NAG NDG NAG 0.430233 0.918367
219 NDG NAG NAG NAG 0.430233 0.918367
220 NAG BMA NAG MAN MAN NAG NAG 0.429907 0.918367
221 U63 0.428571 0.673469
222 ARE 0.427184 0.836735
223 AAO 0.427184 0.836735
224 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.425532 0.702128
225 BGC BGC BGC XYS GAL 0.425532 0.702128
226 BGC BGC BGC XYS BGC BGC 0.425532 0.702128
227 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.425532 0.702128
228 GLC FUC GAL FUC A2G 0.424242 0.957447
229 BGC FUC GAL FUC A2G 0.424242 0.957447
230 NAG NAG BMA MAN MAN MAN MAN 0.421053 0.865385
231 A2G GAL NAG FUC 0.42 0.918367
232 FUC GAL NAG A2G 0.42 0.918367
233 2M4 0.418919 0.733333
234 GAL BGC SIA NGA 0.418803 0.865385
235 SIA GAL BGC NGA 0.418803 0.865385
236 BGC GAL SIA NGA 0.418803 0.865385
237 GLC ACI GLD GLC 0.418367 0.836735
238 GLC G6D ADH GLC 0.418367 0.836735
239 GLC ACI G6D BGC 0.418367 0.836735
240 GLC G6D ACI GLC 0.418367 0.836735
241 FUC GLA A2G 0.417582 0.978261
242 A2G GAL FUC 0.417582 0.978261
243 NGA GAL FUC 0.417582 0.978261
244 FUC GAL A2G 0.417582 0.978261
245 A2G GLA FUC 0.417582 0.978261
246 GLC ACI G6D GLC 0.415842 0.803922
247 GLC ACI GLD GAL 0.415842 0.803922
248 GLA GAL BGC 5VQ 0.414634 0.708333
249 BMA MAN MAN MAN 0.414634 0.733333
250 FUC NAG GLA GAL 0.414141 0.957447
251 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.412844 0.918367
252 GAL SIA NGA GAL SIA 0.412281 0.865385
253 GAL NGA GAL SIA 0.412281 0.849057
254 NAG NAG FUL BMA MAN MAN NAG GAL 0.411765 0.849057
255 NAG MAN MAN 0.408602 1
256 BQZ 0.408451 0.666667
257 CGC 0.407407 0.733333
258 GLC GLC XYP 0.406977 0.733333
259 GAL BGC BGC XYS 0.406593 0.702128
260 BGC SIA SIA GAL 0.403361 0.849057
261 SIA SIA GLA BGC 0.403361 0.849057
262 NAG BDP 0.402299 0.916667
263 MAN MAN BMA MAN 0.402299 0.733333
264 MAN MAN MAN MAN 0.402299 0.733333
265 FUC NAG GAL 0.402174 0.9
266 GLC GLC G6D ACI GLC GLC GLC 0.401961 0.836735
267 G2F BGC BGC BGC BGC BGC 0.4 0.66
268 MAL EDO 0.4 0.702128
269 GLC GLC AGL HMC GLC 0.4 0.803922
270 GLC GLC ACI G6D GLC GLC 0.4 0.803922
271 GLC GLC DAF BGC 0.4 0.803922
272 ACR GLC GLC GLC 0.4 0.803922
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GLT; Ligand: BGC GAL NAG GAL; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5glt.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3VV1 GAL FUC 37.5
Pocket No.: 2; Query (leader) PDB : 5GLT; Ligand: BGC 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: 2) in the query (biounit: 5glt.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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