Receptor
PDB id Resolution Class Description Source Keywords
4K79 2.2 Å NON-ENZYME: SIGNAL_HORMONE RECOGNITION OF THE THOMSEN-FRIEDENREICH ANTIGEN BY A LAMPREY LYMPHOCYTE RECEPTOR PETROMYZON MARINUS LEUCINE RICH REPEAT ANTIGEN RECEPTOR THOMSEN-FRIEDENREICH IMMUNE SYSTEM
Ref.: RECOGNITION OF THE THOMSEN-FRIEDENREICH PANCARCINOM CARBOHYDRATE ANTIGEN BY A LAMPREY VARIABLE LYMPHOCY RECEPTOR. J.BIOL.CHEM. V. 288 23597 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL A2G D:301;
C:301;
B:301;
Valid;
Valid;
Valid;
none;
none;
none;
Ka = 22100 M^-1
383.35 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K79 2.2 Å NON-ENZYME: SIGNAL_HORMONE RECOGNITION OF THE THOMSEN-FRIEDENREICH ANTIGEN BY A LAMPREY LYMPHOCYTE RECEPTOR PETROMYZON MARINUS LEUCINE RICH REPEAT ANTIGEN RECEPTOR THOMSEN-FRIEDENREICH IMMUNE SYSTEM
Ref.: RECOGNITION OF THE THOMSEN-FRIEDENREICH PANCARCINOM CARBOHYDRATE ANTIGEN BY A LAMPREY VARIABLE LYMPHOCY RECEPTOR. J.BIOL.CHEM. V. 288 23597 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 301 families.
1 4K5U Ka = 9600 M^-1 GAL C6 H12 O6 C([C@@H]1[....
2 4K79 Ka = 22100 M^-1 GAL A2G n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 5UF1 Kd = 2.6 uM FUC GAL NAG n/a n/a
2 5UF4 Kd = 160 uM GLC GAL NAG GAL n/a n/a
3 3E6J - DR2 C20 H35 N O15 C[C@H]1[C@....
4 5UFF Kd = 57.1 uM 8B7 C18 H32 O15 C[C@H]1[C@....
5 4K5U Ka = 9600 M^-1 GAL C6 H12 O6 C([C@@H]1[....
6 4K79 Ka = 22100 M^-1 GAL A2G n/a n/a
7 5UFC Kd = 6.9 uM DR2 C20 H35 N O15 C[C@H]1[C@....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 5UF1 Kd = 2.6 uM FUC GAL NAG n/a n/a
2 5UF4 Kd = 160 uM GLC GAL NAG GAL n/a n/a
3 3E6J - DR2 C20 H35 N O15 C[C@H]1[C@....
4 5UFF Kd = 57.1 uM 8B7 C18 H32 O15 C[C@H]1[C@....
5 4K5U Ka = 9600 M^-1 GAL C6 H12 O6 C([C@@H]1[....
6 4K79 Ka = 22100 M^-1 GAL A2G n/a n/a
7 5UFC Kd = 6.9 uM DR2 C20 H35 N O15 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL A2G; Similar ligands found: 294
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NGA 1 1
2 GAL NAG 1 1
3 GAL A2G 1 1
4 NAG GAL 1 1
5 NAG NGA 0.716667 0.9375
6 NAG A2G 0.716667 0.9375
7 NAG BDP 0.68254 0.916667
8 NAG A2G GAL 0.681159 0.9375
9 GAL MGC 0.666667 0.957447
10 DR3 0.661765 0.978261
11 NLC 0.639344 1
12 GAL NDG 0.639344 1
13 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.628205 0.9375
14 1GN ACY GAL ACY 1GN BGC GAL BGC 0.628205 0.9375
15 GC4 NAG 0.617647 0.916667
16 FUC NAG GAL 0.608696 0.978261
17 FUC NDG GAL 0.608696 0.978261
18 GAL NDG FUC 0.608696 0.978261
19 UCD 0.585714 0.897959
20 NAG BDP NAG BDP NAG BDP NAG 0.582278 0.9
21 MAN BMA NAG 0.57971 1
22 GLA GAL NAG 0.57971 1
23 NGA GCD 0.577465 0.88
24 NAG GAD 0.577465 0.88
25 GCD NGA 0.577465 0.88
26 GCD NAG 0.577465 0.88
27 GAD NDG 0.577465 0.88
28 GAL NAG GAL GLC 0.567568 1
29 BGC GAL NAG GAL 0.567568 1
30 8VZ 0.5625 0.918367
31 A2G GAL 0.560606 0.897959
32 GAL TNR 0.555556 0.882353
33 A2G SER GAL 0.555556 0.882353
34 NGA SER GAL 0.555556 0.882353
35 GAL SER A2G 0.555556 0.882353
36 GAL A2G MBN 0.554054 0.957447
37 GAL A2G THR 0.540541 0.882353
38 AMU 0.539683 0.87234
39 GAL NGA GLA BGC GAL 0.538462 1
40 NAG BMA 0.537313 0.897959
41 NGR 0.525424 0.733333
42 GLA GLA 0.525424 0.733333
43 GLA GAL 0.525424 0.733333
44 MAN GLC 0.525424 0.733333
45 M3M 0.525424 0.733333
46 GLC BGC 0.525424 0.733333
47 GLC GLC 0.525424 0.733333
48 LB2 0.525424 0.733333
49 GAL NAG MAN 0.520548 1
50 GAL NAG GAL NAG GAL NAG 0.519481 0.918367
51 NAG GAL GAL NAG 0.519481 0.9375
52 NAG GAL GAL NAG GAL 0.519481 0.9375
53 GAL LOG 0.514286 0.803571
54 GAL BGC NAG GAL 0.513158 1
55 NPO A2G GAL 0.512821 0.714286
56 GAL A2G NPO 0.512821 0.714286
57 BMA MAN 0.508475 0.733333
58 2M4 0.508475 0.733333
59 BGC GLC 0.508475 0.733333
60 MAG FUC GAL 0.5 0.9375
61 GLA NAG GAL FUC 0.5 0.978261
62 NAG BDP NAG BDP 0.494382 0.849057
63 CG3 A2G GAL 0.493827 0.703125
64 LAT NAG GAL 0.493671 1
65 GLC GAL NAG GAL 0.493671 1
66 GAL NDG FUC FUC 0.493506 0.957447
67 GAL NAG FUC FUC 0.493506 0.957447
68 FUC NAG GAL FUC 0.493506 0.957447
69 FUC GAL NAG FUC 0.493506 0.957447
70 BCW 0.493506 0.957447
71 BDZ 0.493506 0.957447
72 FUC GAL NDG FUC 0.493506 0.957447
73 GAL NAG GAL 0.493506 0.957447
74 FUC NDG GAL FUC 0.493506 0.957447
75 GAL NGA A2G 0.493151 0.9375
76 A2G 0.491228 0.888889
77 NDG 0.491228 0.888889
78 NAG 0.491228 0.888889
79 HSQ 0.491228 0.888889
80 NGA 0.491228 0.888889
81 BM3 0.491228 0.888889
82 GAL NOK 0.486111 0.8
83 BGC BGC BGC BGC BGC BGC 0.484375 0.733333
84 GLC BGC BGC BGC BGC BGC BGC 0.484375 0.733333
85 GLC GLC GLC 0.484375 0.733333
86 BGC BGC BGC GLC BGC BGC 0.484375 0.733333
87 GLC GLC GLC GLC 0.484375 0.733333
88 GLC GLC BGC 0.484375 0.733333
89 GLA GLA FUC 0.478261 0.755556
90 NGA GAL SIA 0.478261 0.865385
91 FUC GAL GLA 0.478261 0.755556
92 FUC GLA GLA 0.478261 0.755556
93 GAL GAL FUC 0.478261 0.755556
94 SIA GAL A2G 0.478261 0.865385
95 GLA GAL FUC 0.478261 0.755556
96 GAL BGC 0.47541 0.733333
97 BMA GAL 0.47541 0.733333
98 MAL 0.47541 0.733333
99 BMA BMA 0.47541 0.733333
100 BGC GAL 0.47541 0.733333
101 B2G 0.47541 0.733333
102 GLC GAL 0.47541 0.733333
103 N9S 0.47541 0.733333
104 LAT 0.47541 0.733333
105 CBI 0.47541 0.733333
106 LBT 0.47541 0.733333
107 BGC BMA 0.47541 0.733333
108 MAB 0.47541 0.733333
109 CBK 0.47541 0.733333
110 G6S NAG 0.473684 0.725806
111 BQZ 0.473684 0.666667
112 NAG BDP NAG BDP NAG BDP 0.473118 0.865385
113 TRE 0.471698 0.733333
114 NDG NAG 0.471429 0.9375
115 NAG GDL 0.471429 0.9375
116 CBS CBS 0.471429 0.9375
117 CBS 0.471429 0.9375
118 GAL FUC 0.46875 0.733333
119 NAG NAG BMA 0.468354 0.865385
120 NAG NDG BMA 0.468354 0.865385
121 NGA GAL FUC 0.467532 0.978261
122 FUC GAL A2G 0.467532 0.978261
123 A2G GAL FUC 0.467532 0.978261
124 A2G GLA FUC 0.467532 0.978261
125 FUC GLA A2G 0.467532 0.978261
126 NGA GAL BGC 0.466667 1
127 CGC 0.462687 0.733333
128 NAG GAL NAG 0.461538 0.9375
129 NAG GAL BGC 0.461538 1
130 GAL MBG 0.460317 0.73913
131 MAN MMA 0.460317 0.73913
132 M13 0.460317 0.73913
133 MDM 0.460317 0.73913
134 NAG BMA MAN MAN MAN MAN 0.45977 1
135 GLA MBG 0.459016 0.73913
136 GAL NAG GAL BGC 0.457831 0.957447
137 NAG FUC 0.457143 0.934783
138 NAG GAL FUC 0.454545 0.978261
139 FUL GAL NAG 0.454545 0.978261
140 DR2 0.454545 0.978261
141 GAL NAG FUC 0.454545 0.978261
142 FUC GAL NAG 0.454545 0.978261
143 NDG GAL FUC 0.454545 0.978261
144 FUC GAL NDG 0.454545 0.978261
145 MAG 0.451613 0.893617
146 2F8 0.451613 0.893617
147 NGA GLA GAL BGC 0.451219 1
148 FUC BGC GAL 0.450704 0.755556
149 FUC GLC BGC GAL 0.450704 0.755556
150 NAG AMU 0.45 0.9
151 NAG MUB 0.45 0.9
152 BMA MAN MAN MAN 0.449275 0.733333
153 GLC BGC BGC BGC BGC 0.446154 0.733333
154 CT3 0.446154 0.733333
155 U63 0.446154 0.673469
156 GLC GLC GLC GLC GLC 0.446154 0.733333
157 CE6 0.446154 0.733333
158 GLC GAL GAL 0.446154 0.733333
159 CTR 0.446154 0.733333
160 GLC BGC GLC 0.446154 0.733333
161 BMA BMA BMA 0.446154 0.733333
162 BMA MAN BMA 0.446154 0.733333
163 CEX 0.446154 0.733333
164 GLA GAL GLC 0.446154 0.733333
165 BGC GLC GLC GLC GLC 0.446154 0.733333
166 BGC BGC BGC 0.446154 0.733333
167 BGC BGC BGC BGC 0.446154 0.733333
168 BMA BMA BMA BMA BMA 0.446154 0.733333
169 GLC BGC BGC BGC BGC BGC 0.446154 0.733333
170 DXI 0.446154 0.733333
171 BGC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
172 GLC BGC BGC 0.446154 0.733333
173 MT7 0.446154 0.733333
174 CEY 0.446154 0.733333
175 CE5 0.446154 0.733333
176 MAN BMA BMA BMA BMA BMA 0.446154 0.733333
177 BGC BGC GLC 0.446154 0.733333
178 CE8 0.446154 0.733333
179 BGC GLC GLC 0.446154 0.733333
180 GLA GAL BGC 0.446154 0.733333
181 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.446154 0.733333
182 MAN BMA BMA 0.446154 0.733333
183 MAN MAN BMA BMA BMA BMA 0.446154 0.733333
184 BMA BMA BMA BMA BMA BMA 0.446154 0.733333
185 MAN BMA BMA BMA BMA 0.446154 0.733333
186 B4G 0.446154 0.733333
187 BGC GLC GLC GLC 0.446154 0.733333
188 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
189 BGC BGC BGC GLC 0.446154 0.733333
190 MTT 0.446154 0.733333
191 GAL GAL GAL 0.446154 0.733333
192 MLR 0.446154 0.733333
193 GLC BGC BGC BGC 0.446154 0.733333
194 CTT 0.446154 0.733333
195 NDG NAG NAG 0.445946 0.918367
196 NAG NAG NAG NAG 0.445946 0.918367
197 NAG NAG NAG NDG 0.445946 0.918367
198 NAG NAG NDG 0.445946 0.918367
199 NAG NAG NAG NAG NAG NAG NAG NAG 0.445946 0.918367
200 NAG NAG NDG NAG 0.445946 0.918367
201 CTO 0.445946 0.918367
202 NDG NAG NAG NAG 0.445946 0.918367
203 NAG NAG NAG NAG NDG 0.445946 0.918367
204 NAG NAG NAG NAG NAG NAG 0.445946 0.918367
205 NDG NAG NAG NDG 0.445946 0.918367
206 NAG NAG NAG NAG NAG 0.445946 0.918367
207 NAG NAG BMA MAN MAN 0.444444 0.9375
208 GAL GC2 0.443038 0.6875
209 NAG MAN BMA 0.441558 1
210 GLA GAL NAG FUC GAL GLC 0.44086 0.978261
211 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.43956 0.9
212 GLA EGA 0.439394 0.73913
213 NGA GAL 0.438356 0.93617
214 FUC GAL NAG A2G FUC 0.438202 0.918367
215 NAG GAL FUC FUC A2G 0.438202 0.918367
216 T6P 0.4375 0.6
217 DR5 0.4375 0.73913
218 MMA MAN 0.4375 0.73913
219 NAG NAG BMA MAN 0.436782 0.865385
220 LAT GLA 0.435484 0.733333
221 GLA GAL GAL 0.434783 0.733333
222 GAL GLC NAG GAL FUC 0.433333 0.978261
223 FUC GAL NAG GAL BGC 0.433333 0.978261
224 THR NGA GAL NAG 0.433333 0.882353
225 GLC NAG GAL GAL FUC 0.433333 0.978261
226 MAN MAN BMA 0.432836 0.733333
227 IFM BGC 0.432836 0.711538
228 BMA BMA MAN 0.432836 0.733333
229 IFM BMA 0.432836 0.711538
230 BMA IFM 0.432836 0.711538
231 BGC BGC 0.430769 0.680851
232 NAG MBG 0.430556 0.957447
233 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.430108 1
234 NAG BMA MAN MAN MAN MAN MAN 0.430108 1
235 FUC BGC GAL NAG GAL 0.428571 0.978261
236 A2G THR GAL NAG 0.428571 0.9
237 GAL BGC NAG NAG GAL GAL 0.428571 0.9375
238 MAN MNM 0.426471 0.84
239 BGC BGC BGC BGC BGC BGC BGC 0.426471 0.733333
240 BGC BGC BGC BGC BGC 0.426471 0.733333
241 FMO 0.426471 0.66
242 NAG BMA MAN MAN MAN MAN MAN MAN 0.425532 1
243 FUC NAG GLA GAL 0.425287 0.957447
244 A2G MBG 0.424658 0.957447
245 MBG A2G 0.424658 0.957447
246 GN1 0.424242 0.75
247 NG1 0.424242 0.75
248 NDG GAL 0.422535 0.741379
249 MAN BMA MAN 0.422535 0.733333
250 MAN MAN MAN 0.422535 0.733333
251 P3M 0.418919 0.6
252 MAN BMA NAG NAG MAN NAG GAL GAL 0.416667 0.918367
253 UNU GAL NAG 0.416667 0.918367
254 NG6 GCD 0.416667 0.661538
255 NAG MAN MAN MAN NAG GAL NAG GAL 0.416667 0.918367
256 NAG BMA MAN MAN NAG GAL NAG GAL 0.416667 0.918367
257 GCD NG6 0.416667 0.661538
258 GLA MAN ABE 0.415584 0.723404
259 RZM 0.415385 0.72549
260 SIA 2FG NAG 0.414141 0.803571
261 GAL NAG GAL FUC 0.413793 0.9375
262 FUC NAG 0.413333 0.88
263 9MR 0.411765 0.74
264 BGC OXZ 0.411765 0.672727
265 BGC BGC BGC BGC BGC BGC BGC BGC 0.410959 0.733333
266 3QL 0.410256 0.865385
267 FUC BGC GAL NAG 0.409091 0.978261
268 DOM 0.409091 0.702128
269 FUC GAL NAG GAL FUC 0.409091 0.957447
270 4RS 0.408451 0.7
271 NAG NAG 0.407895 0.846154
272 NAG NDG 0.407895 0.846154
273 GAL SIA NGA GAL 0.407767 0.865385
274 SIA NAG GAL GAL 0.407767 0.849057
275 SIA GAL NGA GAL 0.407767 0.865385
276 SNG 0.40625 0.816327
277 NAG MAN BMA MAN NAG GAL 0.40625 0.9375
278 NOY BGC 0.405797 0.84
279 MAN MAN MAN GLC 0.405405 0.733333
280 L42 0.404762 0.646154
281 ASG GCD 0.404762 0.671875
282 XYT 0.402778 0.6
283 TCG 0.402439 0.775862
284 NAG MAN MAN 0.402439 1
285 NBG 0.4 0.888889
286 A2G GAL BGC FUC 0.4 0.978261
287 GLC GLC XYP 0.4 0.733333
288 8VW 0.4 0.849057
289 A2G GAL NAG FUC 0.4 0.918367
290 A2G GAL GLC FUC 0.4 0.978261
291 GLC 7LQ 0.4 0.659574
292 ABL 0.4 0.877551
293 FUC GAL NAG A2G 0.4 0.918367
294 NAG MAN 0.4 0.957447
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K79; Ligand: GAL A2G; 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: 4k79.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4K79; Ligand: GAL A2G; 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: 4k79.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4K79; Ligand: GAL A2G; 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: 4k79.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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