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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 286 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 1205 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 1039 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: 276
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL NGA 1 1
2 A2G GAL 1 1
3 GAL A2G 1 1
4 NAG A2G 0.716667 0.9375
5 NAG NGA 0.716667 0.9375
6 NAG BDP 0.68254 0.916667
7 NAG A2G GAL 0.681159 0.9375
8 GAL MGC 0.666667 0.957447
9 DR3 0.661765 0.978261
10 NDG GAL 0.639344 1
11 GAL NDG 0.639344 1
12 NLC 0.639344 1
13 1GN ACY GAL ACY 1GN BGC GAL BGC 0.628205 0.9375
14 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.628205 0.9375
15 GC4 NAG 0.617647 0.916667
16 GAL NDG FUC 0.608696 0.978261
17 FUC NDG GAL 0.608696 0.978261
18 UCD 0.585714 0.897959
19 NAG BDP NAG BDP NAG BDP NAG 0.582278 0.9
20 MAN BMA NAG 0.57971 1
21 GLA GAL NAG 0.57971 1
22 NGA GCD 0.577465 0.88
23 NAG GAD 0.577465 0.88
24 GAD NDG 0.577465 0.88
25 GCD NGA 0.577465 0.88
26 GAL NAG GAL GLC 0.567568 1
27 BGC GAL NAG GAL 0.567568 1
28 8VZ 0.5625 0.918367
29 NGA SER GAL 0.555556 0.882353
30 GAL TNR 0.555556 0.882353
31 GAL SER A2G 0.555556 0.882353
32 A2G SER GAL 0.555556 0.882353
33 GAL A2G MBN 0.554054 0.957447
34 GAL A2G THR 0.540541 0.882353
35 AMU 0.539683 0.87234
36 GAL NGA GLA BGC GAL 0.538462 1
37 NAG BMA 0.537313 0.897959
38 LB2 0.525424 0.733333
39 NGR 0.525424 0.733333
40 M3M 0.525424 0.733333
41 MAN GLC 0.525424 0.733333
42 GAL NAG MAN 0.520548 1
43 GAL NAG GAL NAG GAL NAG 0.519481 0.918367
44 NAG GAL GAL NAG 0.519481 0.9375
45 NAG GAL GAL NAG GAL 0.519481 0.9375
46 GAL LOG 0.514286 0.803571
47 GAL BGC NAG GAL 0.513158 1
48 NPO A2G GAL 0.512821 0.714286
49 GAL A2G NPO 0.512821 0.714286
50 2M4 0.508475 0.733333
51 GLA NAG GAL FUC 0.5 0.978261
52 NAG GAL 0.5 1
53 GAL NAG 0.5 1
54 GAL NAG GAL FUC 0.5 0.978261
55 MAG FUC GAL 0.5 0.9375
56 NAG BDP NAG BDP 0.494382 0.849057
57 CG3 A2G GAL 0.493827 0.703125
58 GLC GAL NAG GAL 0.493671 1
59 LAT NAG GAL 0.493671 1
60 FUC NAG GAL FUC 0.493506 0.957447
61 GAL NAG GAL 0.493506 0.957447
62 GAL NDG FUC FUC 0.493506 0.957447
63 FUC NDG GAL FUC 0.493506 0.957447
64 BDZ 0.493506 0.957447
65 FUC GAL NAG FUC 0.493506 0.957447
66 BCW 0.493506 0.957447
67 GAL NAG FUC FUC 0.493506 0.957447
68 FUC GAL NDG FUC 0.493506 0.957447
69 GAL NGA A2G 0.493151 0.9375
70 NGA 0.491228 0.888889
71 HSQ 0.491228 0.888889
72 BM3 0.491228 0.888889
73 NAG 0.491228 0.888889
74 NDG 0.491228 0.888889
75 A2G 0.491228 0.888889
76 GAL NOK 0.486111 0.8
77 BGC BGC BGC GLC BGC BGC 0.484375 0.733333
78 GLC BGC BGC BGC BGC BGC BGC 0.484375 0.733333
79 FUC GAL GLA 0.478261 0.755556
80 FUC GLA GLA 0.478261 0.755556
81 SIA GAL A2G 0.478261 0.865385
82 GLA GLA FUC 0.478261 0.755556
83 GLA GAL FUC 0.478261 0.755556
84 GAL GAL FUC 0.478261 0.755556
85 NGA GAL SIA 0.478261 0.865385
86 MAL 0.47541 0.733333
87 N9S 0.47541 0.733333
88 B2G 0.47541 0.733333
89 LAT 0.47541 0.733333
90 BGC BMA 0.47541 0.733333
91 GLC GAL 0.47541 0.733333
92 CBK 0.47541 0.733333
93 BGC GAL 0.47541 0.733333
94 GLA GLA 0.47541 0.733333
95 GAL BGC 0.47541 0.733333
96 BMA GAL 0.47541 0.733333
97 MAB 0.47541 0.733333
98 GLA GAL 0.47541 0.733333
99 LBT 0.47541 0.733333
100 CBI 0.47541 0.733333
101 BQZ 0.473684 0.666667
102 G6S NAG 0.473684 0.725806
103 NAG BDP NAG BDP NAG BDP 0.473118 0.865385
104 TRE 0.471698 0.733333
105 NDG NAG 0.471429 0.9375
106 NAG GDL 0.471429 0.9375
107 CBS 0.471429 0.9375
108 CBS CBS 0.471429 0.9375
109 GAL FUC 0.46875 0.733333
110 NAG NAG BMA 0.468354 0.865385
111 NAG NDG BMA 0.468354 0.865385
112 NGA GAL FUC 0.467532 0.978261
113 FUC NAG GAL 0.467532 0.9
114 A2G GAL FUC 0.467532 0.978261
115 FUC GLA A2G 0.467532 0.978261
116 FUC GAL A2G 0.467532 0.978261
117 A2G GLA FUC 0.467532 0.978261
118 NGA GAL BGC 0.466667 1
119 CGC 0.462687 0.733333
120 NAG GAL BGC 0.461538 1
121 NAG GAL NAG 0.461538 0.9375
122 M13 0.460317 0.73913
123 GAL MBG 0.460317 0.73913
124 MDM 0.460317 0.73913
125 NAG BMA MAN MAN MAN MAN 0.45977 1
126 GLA MBG 0.459016 0.73913
127 GAL NAG GAL BGC 0.457831 0.957447
128 NAG FUC 0.457143 0.934783
129 FUL GAL NAG 0.454545 0.978261
130 DR2 0.454545 0.978261
131 FUC GAL NDG 0.454545 0.978261
132 GAL NAG FUC 0.454545 0.978261
133 NDG GAL FUC 0.454545 0.978261
134 NAG GAL FUC 0.454545 0.978261
135 FUC GAL NAG 0.454545 0.978261
136 MAG 0.451613 0.893617
137 2F8 0.451613 0.893617
138 NGA GLA GAL BGC 0.451219 1
139 FUC BGC GAL 0.450704 0.755556
140 NAG AMU 0.45 0.9
141 NAG MUB 0.45 0.9
142 BMA MAN MAN MAN 0.449275 0.733333
143 GLC BGC BGC BGC BGC BGC 0.446154 0.733333
144 CT3 0.446154 0.733333
145 BGC BGC BGC BGC BGC BGC 0.446154 0.733333
146 BGC GLC GLC GLC 0.446154 0.733333
147 CEX 0.446154 0.733333
148 GLC BGC GLC 0.446154 0.733333
149 GLC BGC BGC BGC 0.446154 0.733333
150 MAN BMA BMA BMA BMA BMA 0.446154 0.733333
151 BGC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
152 BGC BGC GLC 0.446154 0.733333
153 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
154 MAN BMA BMA BMA BMA 0.446154 0.733333
155 MAN BMA BMA 0.446154 0.733333
156 GLC BGC BGC 0.446154 0.733333
157 CEY 0.446154 0.733333
158 BGC GLC GLC 0.446154 0.733333
159 GLC GLC BGC 0.446154 0.733333
160 BGC GLC GLC GLC GLC 0.446154 0.733333
161 CTT 0.446154 0.733333
162 MAN MAN BMA BMA BMA BMA 0.446154 0.733333
163 BMA BMA BMA BMA BMA BMA 0.446154 0.733333
164 GLA GAL GLC 0.446154 0.733333
165 MLR 0.446154 0.733333
166 GAL GAL GAL 0.446154 0.733333
167 BGC BGC BGC 0.446154 0.733333
168 GLC GLC GLC GLC GLC 0.446154 0.733333
169 B4G 0.446154 0.733333
170 BGC BGC BGC BGC 0.446154 0.733333
171 CE5 0.446154 0.733333
172 BMA BMA BMA 0.446154 0.733333
173 MTT 0.446154 0.733333
174 DXI 0.446154 0.733333
175 GLC BGC BGC BGC BGC 0.446154 0.733333
176 CTR 0.446154 0.733333
177 BGC BGC BGC BGC BGC 0.446154 0.733333
178 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.446154 0.733333
179 GLA GAL BGC 0.446154 0.733333
180 U63 0.446154 0.673469
181 BGC BGC BGC GLC 0.446154 0.733333
182 CE6 0.446154 0.733333
183 BMA MAN BMA 0.446154 0.733333
184 CE8 0.446154 0.733333
185 MT7 0.446154 0.733333
186 BMA BMA BMA BMA BMA 0.446154 0.733333
187 GLC GAL GAL 0.446154 0.733333
188 NAG NAG NAG NAG NAG NAG 0.445946 0.918367
189 CTO 0.445946 0.918367
190 NDG NAG NAG NAG 0.445946 0.918367
191 NDG NAG NAG 0.445946 0.918367
192 NAG NAG NAG NAG NDG 0.445946 0.918367
193 NAG NAG NAG NDG 0.445946 0.918367
194 NAG NAG NAG NAG NAG NAG NAG NAG 0.445946 0.918367
195 NDG NAG NAG NDG 0.445946 0.918367
196 NAG NAG NDG NAG 0.445946 0.918367
197 NAG NAG NAG NAG NAG 0.445946 0.918367
198 NAG NAG NDG 0.445946 0.918367
199 NAG NAG BMA MAN MAN 0.444444 0.9375
200 GAL GC2 0.443038 0.6875
201 NAG MAN BMA 0.441558 1
202 GLA GAL NAG FUC GAL GLC 0.44086 0.978261
203 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.43956 0.9
204 GLA EGA 0.439394 0.73913
205 NGA GAL 0.438356 0.93617
206 NAG GAL FUC FUC A2G 0.438202 0.918367
207 FUC GAL NAG A2G FUC 0.438202 0.918367
208 T6P 0.4375 0.6
209 DR5 0.4375 0.73913
210 MMA MAN 0.4375 0.73913
211 NAG NAG BMA MAN 0.436782 0.865385
212 LAT GLA 0.435484 0.733333
213 GLA GAL GAL 0.434783 0.733333
214 FUC GAL NAG GAL BGC 0.433333 0.978261
215 THR NGA GAL NAG 0.433333 0.882353
216 GLC NAG GAL GAL FUC 0.433333 0.978261
217 GAL GLC NAG GAL FUC 0.433333 0.978261
218 IFM BMA 0.432836 0.711538
219 MAN MAN BMA 0.432836 0.733333
220 BMA IFM 0.432836 0.711538
221 IFM BGC 0.432836 0.711538
222 BMA BMA MAN 0.432836 0.733333
223 BMA BMA 0.430769 0.680851
224 BGC BGC 0.430769 0.680851
225 NAG MBG 0.430556 0.957447
226 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.430108 1
227 FUC BGC GAL NAG GAL 0.428571 0.978261
228 MAN MNM 0.426471 0.84
229 FMO 0.426471 0.66
230 FUC NAG GLA GAL 0.425287 0.957447
231 MBG A2G 0.424658 0.957447
232 A2G MBG 0.424658 0.957447
233 GN1 0.424242 0.75
234 NG1 0.424242 0.75
235 MAN BMA MAN 0.422535 0.733333
236 P3M 0.418919 0.6
237 NG6 GCD 0.416667 0.661538
238 GCD NG6 0.416667 0.661538
239 UNU GAL NAG 0.416667 0.918367
240 MAN BMA NAG NAG MAN NAG GAL GAL 0.416667 0.918367
241 NAG MAN MAN MAN NAG GAL NAG GAL 0.416667 0.918367
242 GLA MAN ABE 0.415584 0.723404
243 RZM 0.415385 0.72549
244 SIA 2FG NAG 0.414141 0.803571
245 FUC NAG 0.413333 0.88
246 BGC OXZ 0.411765 0.672727
247 9MR 0.411765 0.74
248 BGC BGC BGC BGC BGC BGC BGC BGC 0.410959 0.733333
249 3QL 0.410256 0.865385
250 DOM 0.409091 0.702128
251 FUC BGC GAL NAG 0.409091 0.978261
252 FUC GAL NAG GAL FUC 0.409091 0.957447
253 4RS 0.408451 0.7
254 NAG NDG 0.407895 0.846154
255 NAG NAG 0.407895 0.846154
256 SIA GAL NGA GAL 0.407767 0.865385
257 GAL SIA NGA GAL 0.407767 0.865385
258 SIA NAG GAL GAL 0.407767 0.849057
259 SNG 0.40625 0.816327
260 NAG MAN BMA MAN NAG GAL 0.40625 0.9375
261 NOY BGC 0.405797 0.84
262 MAN MAN MAN GLC 0.405405 0.733333
263 L42 0.404762 0.646154
264 ASG GCD 0.404762 0.671875
265 XYT 0.402778 0.6
266 TCG 0.402439 0.775862
267 NAG MAN MAN 0.402439 1
268 GLC GLC XYP 0.4 0.733333
269 8VW 0.4 0.849057
270 NBG 0.4 0.888889
271 NAG MAN 0.4 0.957447
272 A2G GAL NAG FUC 0.4 0.918367
273 A2G GAL BGC FUC 0.4 0.978261
274 GLC 7LQ 0.4 0.659574
275 FUC GAL NAG A2G 0.4 0.918367
276 ABL 0.4 0.877551
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: 48
This union binding pocket(no: 1) in the query (biounit: 4k79.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1BAI 0Q4 None
2 3CH6 311 1.81818
3 3CH6 NAP 1.81818
4 3BXO SAM 1.81818
5 5H62 UDP 1.81818
6 2WOX NDP 2.27273
7 2HK5 1BM 2.27273
8 2X7J TPP 2.72727
9 2ZD8 MER 2.72727
10 4KYQ FLC 2.88462
11 2VG1 FPP 3.18182
12 2B8T THM 3.18182
13 1D6S PLP MET 3.18182
14 2WZM NA7 3.63636
15 5L2R MLA 3.63636
16 3OV6 MK0 3.63636
17 4C5N ACP 3.63636
18 5E70 RCD 3.63636
19 4P6G 2FZ 4.09091
20 4DDS 0J7 4.09091
21 4DE3 DN8 4.09091
22 4DE1 0J6 4.09091
23 2GOU FMN 4.09091
24 4DE0 0JB 4.09091
25 5EOO CIT 4.54545
26 3P2E SAH 4.54545
27 2Q4W FAD 4.54545
28 4JNA FAD 5
29 1PZO CBT 5
30 5UIU 8CG 5
31 5U98 1KX 5.05051
32 3F3E LEU 5.45455
33 4ZY1 4U5 5.90909
34 4B7P 9UN 5.90909
35 1IM8 SAI 6.36364
36 3RS8 APR 6.36364
37 1MI3 NAD 6.81818
38 3DR4 G4M 6.81818
39 5FNU L6I 7.27273
40 2ZRU FMN 7.72727
41 4M69 ANP 7.72727
42 1VBJ NAP 8.18182
43 3WCZ NAP 8.63636
44 2YIP YIO 8.69565
45 2QZX IVA VAL VAL STA ALA STA 9.54545
46 3DVA TPW 10
47 2XK9 XK9 10.4545
48 1VQW FAD 11.8182
Pocket No.: 2; Query (leader) PDB : 4K79; Ligand: GAL A2G; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 4k79.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1D4O NAP 1.63043
2 4GAA BES 1.81818
3 3K56 IS3 1.81818
4 2C6Q NDP 2.27273
5 3MMH SME 2.39521
6 3E85 BSU 3.16456
7 6GAS FAD 3.18182
8 4Z0G 5GP 3.18182
9 3KYG 5GP 5GP 3.18182
10 3EWC MCF 3.63636
11 5VFC 9BA 4.09091
12 1U8V FAD 4.09091
13 6BT6 3GK 4.09091
14 5ESO TDP 5
15 5ESO ISC 5
16 1WF3 GNP 5.45455
17 3VC1 GST 5.90909
18 3VC1 SAH 5.90909
19 4IXH IMP 6.36364
20 3LGS ADE 6.81818
21 4HA6 FAD 6.81818
22 6DO3 PRO PRO PRO MET ALA GLY GLY 8.18182
23 6HOY AR6 8.18182
24 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 8.18182
25 3I7S PYR 8.63636
26 2WLG SOP 9.30233
27 1JQN DCO 10
28 1IZC PYR 10.9091
29 1NXJ TLA 10.9091
Pocket No.: 3; Query (leader) PDB : 4K79; Ligand: GAL A2G; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 4k79.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2C6Q IMP 2.27273
2 5N17 8FK 2.89855
3 4X1B MLI 3.18182
4 3Q9T FAY 3.18182
5 3ZG6 APR 8.18182
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