Receptor
PDB id Resolution Class Description Source Keywords
1GIC 2 Å NON-ENZYME: BINDING CONCANAVALIN A COMPLEXED WITH METHYL ALPHA-D-GLUCOPYRANOSIDE CANAVALIA ENSIFORMIS COMPLEX LECTIN SACCHARIDE
Ref.: STRUCTURE SOLUTION OF A CUBIC CRYSTAL OF CONCANAVAL COMPLEXED WITH METHYL ALPHA-D-GLUCOPYRANOSIDE. ACTA CRYSTALLOGR.,SECT.D V. 52 143 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:240;
B:240;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GYP A:238;
B:238;
Valid;
Valid;
none;
none;
submit data
194.182 C7 H14 O6 CO[C@...
MN A:239;
B:239;
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
1JN2 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MESO-TETRASULPHONATOPHENYL PORPHYRIN CO WITH CONCANAVALIN A CANAVALIA ENSIFORMIS LECTIN SUGAR BINDING PROTEIN
Ref.: FUNCTIONAL EQUALITY IN THE ABSENCE OF STRUCTURAL SI AN ADDED DIMENSION TO MOLECULAR MIMICRY J.BIOL.CHEM. V. 276 39277 2000
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MMA MAN MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MMA MAN MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GYP; Similar ligands found: 75
No: Ligand ECFP6 Tc MDL keys Tc
1 AMG 1 1
2 MBG 1 1
3 GYP 1 1
4 MMA 1 1
5 MMA MAN 0.651163 0.914286
6 MGL GAL 0.613636 0.914286
7 MBG GAL 0.613636 0.914286
8 MBG GLA 0.581395 0.914286
9 U1Y BGC 0.5625 0.842105
10 MA3 0.525 0.914286
11 GL1 0.512195 0.674419
12 XGP 0.512195 0.674419
13 G1P 0.512195 0.674419
14 M1P 0.512195 0.674419
15 BQZ 0.5 0.878788
16 DEG 0.488889 0.837838
17 AHR FUB 0.47619 0.777778
18 Z4R MAN 0.470588 0.842105
19 MAG 0.468085 0.727273
20 EBQ 0.468085 0.861111
21 2F8 0.468085 0.727273
22 J5B 0.468085 0.861111
23 RGG 0.466667 0.909091
24 MMA MAN MAN 0.464286 0.914286
25 MA3 SGC SSG SSG BGC 0.462963 0.842105
26 MGC GAL 0.462963 0.680851
27 GTM SGC SGC BGC 0.462963 0.842105
28 JZR 0.458333 0.775
29 HEX GLC 0.458333 0.775
30 GAT 0.458333 0.674419
31 MAN MAN 0.458333 0.857143
32 BHG 0.458333 0.775
33 U2A BGC 0.45098 0.842105
34 2GS 0.45 1
35 KGM 0.44898 0.756098
36 B7G 0.44898 0.756098
37 2M8 0.446809 0.882353
38 BGC GLA GAL 0.446809 0.857143
39 GTM BGC BGC 0.442623 0.842105
40 BOG 0.44 0.756098
41 BNG 0.44 0.756098
42 HSJ 0.44 0.756098
43 GLO GLC 0.44 0.909091
44 R1P 0.439024 0.6
45 GAL GLA 0.4375 0.857143
46 56N 0.4375 0.805556
47 FUC GAL 0.431373 0.857143
48 MBG A2G 0.431034 0.680851
49 GLC U8V 0.423077 0.837838
50 GAL PHB 0.423077 0.783784
51 RZM 0.42 0.666667
52 MGL SGC BGC BGC 0.415385 0.842105
53 MGL SGC 0.415094 0.842105
54 IFM BGC 0.415094 0.652174
55 HNV 0.413793 0.842105
56 MBG NAG 0.413793 0.680851
57 7D1 MAN 0.411765 0.810811
58 BGC GLC GLC GLC GLC GLC 0.411765 0.857143
59 GLC G6P 0.411765 0.681818
60 RR7 GLC 0.411765 0.810811
61 BGC GLC GLC GLC GLC 0.411765 0.857143
62 MFU 0.410256 0.727273
63 MFB 0.410256 0.727273
64 NOJ BGC 0.407407 0.638298
65 3X8 0.407407 0.763158
66 MMA XYP 0.407407 0.888889
67 GLC DMJ 0.407407 0.638298
68 FK9 0.407407 0.756098
69 BMA MAN MAN MAN 0.40625 0.888889
70 GLC GLC GLC GLC BGC GLC GLC 0.403846 0.857143
71 MAN BMA BMA BMA BMA BMA BMA 0.403846 0.857143
72 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
73 SER MAN 0.403846 0.697674
74 GLC 7LQ 0.4 0.857143
75 IFM MAN 0.4 0.652174
Similar Ligands (3D)
Ligand no: 1; Ligand: GYP; Similar ligands found: 368
No: Ligand Similarity coefficient
1 BGC 1.0000
2 GLC 0.9806
3 GLG 0.9783
4 PA1 0.9731
5 GLF 0.9701
6 G2F 0.9652
7 MAN 0.9631
8 GOX 0.9585
9 ZB1 0.9572
10 94B 0.9545
11 GLT 0.9504
12 GLA 0.9492
13 95Z 0.9453
14 2M5 0.9452
15 BMA 0.9440
16 GAL 0.9430
17 X09 0.9416
18 LGC 0.9411
19 GCU 0.9403
20 G4D 0.9401
21 MVL 0.9382
22 GIV 0.9381
23 FSW 0.9364
24 KBG 0.9364
25 FRU 0.9355
26 GCV 0.9341
27 149 0.9337
28 G3F 0.9329
29 LKA 0.9320
30 X6X 0.9316
31 GAF 0.9313
32 ZWZ 0.9309
33 GCS 0.9294
34 GT0 0.9292
35 FUL 0.9277
36 HTP 0.9273
37 XXR 0.9256
38 MIG 0.9249
39 NTZ 0.9241
40 CTS 0.9236
41 GCB 0.9236
42 3CU 0.9233
43 UEG 0.9228
44 HJP 0.9227
45 SF6 0.9192
46 NOJ 0.9182
47 FHN 0.9181
48 FUC 0.9179
49 FUF 0.9177
50 2H5 0.9173
51 7D2 0.9169
52 ASC 0.9167
53 293 0.9165
54 SHG 0.9161
55 948 0.9156
56 FH2 0.9155
57 GIM 0.9153
58 FDK 0.9143
59 8S0 0.9141
60 BDP 0.9137
61 FX1 0.9133
62 EVA 0.9124
63 25W 0.9124
64 INS 0.9122
65 4PW 0.9115
66 3RK 0.9111
67 94E 0.9111
68 TFU 0.9106
69 WOO 0.9101
70 NGO 0.9100
71 I1N 0.9092
72 CGB 0.9090
73 ASO 0.9087
74 2MN 0.9082
75 RXR 0.9077
76 ISE 0.9074
77 LSA 0.9073
78 ADA 0.9065
79 NOY 0.9063
80 7VJ 0.9059
81 RPQ 0.9051
82 ALL 0.9049
83 FCA 0.9048
84 DMJ 0.9043
85 AHR 0.9043
86 HLZ 0.9042
87 MT5 0.9040
88 ABE 0.9027
89 FXH 0.9026
90 RAM 0.9023
91 6KX 0.9021
92 2TQ 0.9018
93 TTL 0.9016
94 CKX 0.9016
95 IFL 0.9014
96 PFB 0.9013
97 MNM 0.9007
98 LXC 0.9007
99 SFU 0.8999
100 K3Q 0.8996
101 289 0.8994
102 AEZ 0.8993
103 3MG 0.8986
104 YIO 0.8986
105 DHK 0.8978
106 RM1 0.8976
107 3R9 0.8973
108 GXL 0.8969
109 CN0 0.8964
110 PXM 0.8964
111 3RI 0.8962
112 KJY 0.8959
113 LCN 0.8957
114 D3M 0.8956
115 2FG 0.8955
116 IFM 0.8953
117 82I 0.8947
118 GOO 0.8944
119 H6B 0.8944
120 GTL 0.8944
121 V55 0.8943
122 EXO 0.8942
123 5QX 0.8941
124 5FN 0.8939
125 1GN 0.8937
126 GDE 0.8936
127 4AA 0.8934
128 DQN 0.8933
129 3Z7 0.8932
130 15L 0.8931
131 T6C 0.8929
132 9KH 0.8926
133 KIB 0.8925
134 5DI 0.8925
135 B0D 0.8923
136 AFR 0.8918
137 GLY PRO 0.8918
138 SXS 0.8917
139 R8V 0.8917
140 ARB 0.8915
141 SRO 0.8908
142 H62 0.8907
143 MWP 0.8906
144 NGT 0.8906
145 B57 0.8905
146 PRZ 0.8898
147 VOH 0.8896
148 0LH 0.8895
149 7MH 0.8893
150 06B 0.8893
151 QM1 0.8891
152 5WX 0.8890
153 CKU 0.8889
154 329 0.8889
155 9MG 0.8888
156 SOE 0.8888
157 G6D 0.8888
158 4XR 0.8888
159 LRH 0.8886
160 XYS 0.8885
161 DFB 0.8885
162 KOJ 0.8880
163 12M 0.8876
164 NTM 0.8874
165 GIO 0.8873
166 DIG 0.8870
167 Q88 0.8869
168 NDG 0.8868
169 ALA PRO 0.8865
170 DBJ 0.8865
171 GFP 0.8864
172 DGJ 0.8864
173 32O 0.8863
174 UQ 0.8863
175 GP1 0.8863
176 Q6T 0.8862
177 ARW 0.8860
178 PXL 0.8857
179 SWA 0.8856
180 0P6 0.8855
181 IJZ 0.8854
182 RIB 0.8853
183 NGW 0.8848
184 XYP 0.8847
185 64K 0.8846
186 3IT 0.8845
187 RNS 0.8840
188 HMQ 0.8838
189 F5B 0.8837
190 6LW 0.8836
191 B62 0.8835
192 CBF 0.8833
193 A65 0.8833
194 BDF 0.8830
195 9PY 0.8830
196 OIA 0.8830
197 GUN 0.8829
198 XAN 0.8829
199 VK3 0.8828
200 IBM 0.8826
201 DBX 0.8822
202 1LQ 0.8821
203 AZF 0.8817
204 OXZ 0.8816
205 3HA 0.8815
206 AIN 0.8814
207 3Z8 0.8814
208 EUG 0.8811
209 4M4 0.8811
210 GTZ 0.8808
211 B53 0.8808
212 JTH 0.8807
213 BCU 0.8806
214 BTE 0.8805
215 VC2 0.8804
216 NBG 0.8803
217 2ZQ 0.8798
218 DIE 0.8797
219 DBH 0.8788
220 IF7 0.8788
221 AUD 0.8788
222 SJ5 0.8787
223 SER PRO 0.8783
224 MSN 0.8781
225 5WU 0.8781
226 DEE 0.8777
227 MZB 0.8774
228 260 0.8774
229 Q7A 0.8770
230 3M0 0.8770
231 TVP 0.8770
232 FOT 0.8769
233 39A 0.8766
234 QAT 0.8766
235 DZX 0.8766
236 F0J 0.8762
237 GRE 0.8762
238 PHT 0.8761
239 KIA 0.8758
240 6F0 0.8757
241 57O 0.8756
242 RIP 0.8756
243 ENL 0.8754
244 42C 0.8753
245 4XV 0.8752
246 M3S 0.8751
247 HPA 0.8746
248 HHA 0.8746
249 AH8 0.8746
250 ARA 0.8746
251 3WA 0.8744
252 6M1 0.8742
253 0MK 0.8738
254 FYU 0.8737
255 3DM 0.8737
256 CIP 0.8735
257 GTR 0.8733
258 KP6 0.8732
259 KIF 0.8732
260 6CS 0.8731
261 3F0 0.8730
262 GOG 0.8727
263 1U6 0.8724
264 C2U 0.8723
265 N7P 0.8723
266 GYE 0.8723
267 SYA 0.8721
268 M0Q 0.8721
269 EMZ 0.8718
270 3XX 0.8715
271 YTB 0.8715
272 HMU 0.8713
273 LOG 0.8710
274 F81 0.8710
275 GCW 0.8708
276 HXX 0.8704
277 EJZ 0.8703
278 OTD 0.8702
279 FA6 0.8702
280 GNL 0.8700
281 TRA 0.8697
282 AGK 0.8696
283 PX7 0.8696
284 4XS 0.8692
285 SF9 0.8690
286 PSV 0.8688
287 SEJ 0.8688
288 GIF 0.8684
289 2D0 0.8683
290 CIT 0.8683
291 FLC 0.8681
292 VNJ 0.8681
293 AKH 0.8680
294 44V 0.8679
295 2EC 0.8679
296 ZZT 0.8679
297 NCD 0.8677
298 HNQ 0.8676
299 GZL 0.8674
300 FCB 0.8673
301 3C7 0.8670
302 HFB 0.8670
303 JUG 0.8669
304 F6P 0.8669
305 DOR 0.8668
306 MT0 0.8661
307 PRF 0.8660
308 5RG 0.8658
309 HMH 0.8658
310 2CL 0.8655
311 BCF 0.8651
312 RM4 0.8650
313 G5V 0.8650
314 SHA 0.8649
315 YQA 0.8648
316 KLW 0.8643
317 BNT 0.8642
318 NAG 0.8642
319 2XX 0.8640
320 QIC 0.8638
321 4NG 0.8631
322 6M4 0.8631
323 SR4 0.8629
324 LT2 0.8627
325 QAS 0.8627
326 5WY 0.8626
327 GM7 0.8625
328 FP1 0.8625
329 HZQ 0.8624
330 35C 0.8619
331 XH2 0.8619
332 CWM 0.8618
333 495 0.8616
334 ES0 0.8614
335 E7Z 0.8613
336 DQA 0.8612
337 FPK 0.8604
338 UNC 0.8604
339 JIF 0.8600
340 URQ 0.8596
341 BEU 0.8595
342 1LN 0.8595
343 5CL 0.8591
344 DFU 0.8591
345 261 0.8585
346 3MA 0.8585
347 23A 0.8582
348 M1H 0.8582
349 0RN 0.8579
350 J01 0.8571
351 ZXD 0.8566
352 NQ 0.8562
353 BE2 0.8558
354 67N 0.8553
355 NSG 0.8553
356 JFD 0.8552
357 12Q 0.8549
358 TH7 0.8545
359 APZ 0.8543
360 1WD 0.8537
361 GLO 0.8534
362 KJH 0.8532
363 RXA 0.8530
364 1NP 0.8523
365 FDB 0.8520
366 TTY 0.8516
367 1SQ 0.8511
368 ZZ3 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JN2; Ligand: SFP; 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: 1jn2.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JN2; Ligand: SFP; 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: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JN2; Ligand: SFP; 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: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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