Receptor
PDB id Resolution Class Description Source Keywords
3R51 2.1 Å NON-ENZYME: OTHER STRUCTURE ANALYSIS OF A WOUND-INDUCIBLE LECTIN IPOMOELIN FRO POTATO IPOMOEA BATATAS BETA PRISM CARBOHYDRATE/SUGAR BINDING CARBOHYDRATE-BINDING
Ref.: IPOMOELIN, A JACALIN-RELATED LECTIN WITH A COMPACT TETRAMERIC ASSOCIATION AND VERSATILE CARBOHYDRATE B PROPERTIES REGULATED BY ITS N TERMINUS. PLOS ONE V. 7 40618 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MMA A:200;
Valid;
none;
Kd = 142 uM
194.182 C7 H14 O6 CO[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R51 2.1 Å NON-ENZYME: OTHER STRUCTURE ANALYSIS OF A WOUND-INDUCIBLE LECTIN IPOMOELIN FRO POTATO IPOMOEA BATATAS BETA PRISM CARBOHYDRATE/SUGAR BINDING CARBOHYDRATE-BINDING
Ref.: IPOMOELIN, A JACALIN-RELATED LECTIN WITH A COMPACT TETRAMERIC ASSOCIATION AND VERSATILE CARBOHYDRATE B PROPERTIES REGULATED BY ITS N TERMINUS. PLOS ONE V. 7 40618 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3R51 Kd = 142 uM MMA C7 H14 O6 CO[C@@H]1[....
2 4DDN Kd = 244 uM AMG C7 H14 O6 CO[C@@H]1[....
3 3R52 Kd = 498 uM GYP C7 H14 O6 CO[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 1331 families.
1 3R51 Kd = 142 uM MMA C7 H14 O6 CO[C@@H]1[....
2 4DDN Kd = 244 uM AMG C7 H14 O6 CO[C@@H]1[....
3 3R52 Kd = 498 uM GYP C7 H14 O6 CO[C@@H]1[....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3R51 Kd = 142 uM MMA C7 H14 O6 CO[C@@H]1[....
2 4DDN Kd = 244 uM AMG C7 H14 O6 CO[C@@H]1[....
3 3R52 Kd = 498 uM GYP C7 H14 O6 CO[C@@H]1[....
4 5XFI - NAG NAG BMA MAN MAN NAG GAL NAG n/a n/a
5 5AV7 - MMA MAN NAG MAN NAG NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MMA; 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: MMA; Similar ligands found: 616
No: Ligand Similarity coefficient
1 MAN 1.0000
2 95Z 1.0000
3 2M5 0.9880
4 IFL 0.9812
5 MNM 0.9793
6 DMJ 0.9774
7 BMA 0.9773
8 XXR 0.9736
9 LKA 0.9720
10 GIV 0.9680
11 GLC 0.9674
12 GOX 0.9597
13 FHN 0.9591
14 FRU 0.9550
15 GLT 0.9518
16 BGC 0.9507
17 PA1 0.9494
18 GLF 0.9481
19 LGC 0.9476
20 289 0.9470
21 BDF 0.9449
22 8S0 0.9448
23 GLA 0.9445
24 ZWZ 0.9431
25 GLG 0.9427
26 KBG 0.9425
27 G4D 0.9390
28 G2F 0.9381
29 TFU 0.9380
30 GAL 0.9377
31 FUL 0.9369
32 SFU 0.9357
33 2H5 0.9357
34 64K 0.9356
35 GCB 0.9345
36 DGJ 0.9336
37 UEG 0.9336
38 149 0.9332
39 1GN 0.9318
40 2FG 0.9309
41 PXL 0.9301
42 ZB1 0.9300
43 FUF 0.9300
44 FUC 0.9299
45 94B 0.9293
46 FX1 0.9286
47 GOO 0.9280
48 OXZ 0.9278
49 FDK 0.9268
50 MVL 0.9262
51 FH2 0.9261
52 KJY 0.9261
53 MIG 0.9260
54 G3F 0.9259
55 680 0.9259
56 SHG 0.9258
57 DZX 0.9250
58 IF7 0.9248
59 IFM 0.9248
60 GT0 0.9244
61 CKX 0.9243
62 RPQ 0.9242
63 NTZ 0.9237
64 HTP 0.9234
65 HHA 0.9232
66 X6X 0.9227
67 293 0.9223
68 XYP 0.9218
69 ALL 0.9217
70 SEJ 0.9216
71 5WX 0.9212
72 7D2 0.9210
73 HJP 0.9209
74 SF6 0.9208
75 PXM 0.9208
76 DIG 0.9206
77 7VJ 0.9199
78 23A 0.9196
79 GIM 0.9188
80 948 0.9187
81 GCU 0.9187
82 GCS 0.9185
83 SF9 0.9182
84 6KX 0.9178
85 AEZ 0.9173
86 F81 0.9170
87 FSW 0.9163
88 ASC 0.9160
89 GAF 0.9157
90 3MG 0.9146
91 329 0.9145
92 I1N 0.9144
93 YIO 0.9142
94 TVP 0.9141
95 RIB 0.9131
96 4PW 0.9130
97 1N4 0.9128
98 32O 0.9124
99 HXX 0.9121
100 DBH 0.9117
101 GXL 0.9116
102 6LW 0.9116
103 ISE 0.9111
104 P3K 0.9108
105 NGO 0.9107
106 TTL 0.9106
107 RAM 0.9105
108 3CU 0.9105
109 INS 0.9104
110 YSO 0.9097
111 B0D 0.9094
112 GIF 0.9088
113 GTZ 0.9087
114 GCV 0.9078
115 NOJ 0.9075
116 ASO 0.9075
117 AGK 0.9074
118 GCW 0.9073
119 NDM 0.9073
120 EXO 0.9072
121 DFB 0.9071
122 AFR 0.9065
123 AZF 0.9065
124 MZB 0.9063
125 9PY 0.9056
126 KIB 0.9056
127 AHR 0.9054
128 FCA 0.9054
129 X09 0.9054
130 SOE 0.9053
131 N8P 0.9052
132 FCB 0.9051
133 3DM 0.9051
134 3RI 0.9048
135 3M0 0.9048
136 M1E 0.9045
137 NGT 0.9043
138 EMZ 0.9042
139 0MK 0.9041
140 3R9 0.9040
141 WOO 0.9036
142 JZ3 0.9036
143 NGW 0.9034
144 Z6J 0.9029
145 3F0 0.9024
146 3HA 0.9024
147 XX3 0.9024
148 06B 0.9018
149 JVA 0.9016
150 LCN 0.9016
151 ARW 0.9015
152 IJZ 0.9015
153 SJ5 0.9014
154 5DI 0.9013
155 3WA 0.9011
156 GLO 0.9010
157 NOY 0.9006
158 IUP 0.9004
159 RM4 0.9003
160 9DG 0.9001
161 FUB 0.8998
162 XYS 0.8997
163 RXR 0.8995
164 GTL 0.8995
165 PYG 0.8991
166 82I 0.8991
167 AIN 0.8991
168 ARB 0.8989
169 RNS 0.8988
170 D3M 0.8988
171 XAN 0.8987
172 CKU 0.8986
173 GUN 0.8986
174 MSN 0.8982
175 FYU 0.8976
176 25W 0.8976
177 UQ 0.8974
178 2MN 0.8970
179 II6 0.8966
180 94E 0.8964
181 B57 0.8960
182 EVA 0.8956
183 PRZ 0.8955
184 CTS 0.8952
185 G6D 0.8950
186 SAL 0.8946
187 NTM 0.8945
188 LSA 0.8945
189 BE2 0.8942
190 4P0 0.8937
191 GYE 0.8935
192 5FN 0.8934
193 Q6T 0.8934
194 M3S 0.8933
195 PSV 0.8930
196 9MG 0.8930
197 DBJ 0.8929
198 6CS 0.8928
199 BDP 0.8928
200 FOT 0.8918
201 12M 0.8918
202 ZXD 0.8918
203 PFB 0.8916
204 R8A 0.8916
205 KPL 0.8914
206 LFR 0.8914
207 NK 0.8911
208 G5V 0.8910
209 DQN 0.8910
210 MLT 0.8907
211 CIT 0.8907
212 SWA 0.8906
213 GRE 0.8902
214 286 0.8902
215 H76 0.8902
216 MT5 0.8902
217 4M4 0.8901
218 JBK 0.8901
219 K5W 0.8901
220 TEP 0.8900
221 M0Q 0.8900
222 7B4 0.8897
223 ADK 0.8895
224 12B 0.8895
225 H6B 0.8895
226 AUD 0.8893
227 GLY PRO 0.8892
228 ABE 0.8892
229 LXC 0.8891
230 6F0 0.8891
231 DHK 0.8889
232 RIP 0.8888
233 261 0.8886
234 CGB 0.8883
235 FE DB1 0.8883
236 2CM 0.8883
237 K3Q 0.8880
238 3RK 0.8879
239 V55 0.8878
240 B60 0.8877
241 YTB 0.8876
242 ALA PRO 0.8875
243 3IT 0.8874
244 0R0 0.8874
245 GTQ 0.8874
246 GMN 0.8873
247 7VS 0.8873
248 H7Y 0.8872
249 3XX 0.8870
250 7B3 0.8870
251 AKH 0.8870
252 JUG 0.8870
253 5WU 0.8870
254 DOR 0.8870
255 PHT 0.8869
256 T6C 0.8868
257 URC 0.8866
258 RM1 0.8866
259 SXS 0.8864
260 OIA 0.8864
261 HLZ 0.8863
262 3MA 0.8863
263 ADA 0.8862
264 39A 0.8860
265 2MY 0.8859
266 4HC 0.8859
267 GOG 0.8858
268 QM1 0.8857
269 DUB 0.8857
270 6MH 0.8856
271 I3A 0.8855
272 ADZ 0.8854
273 J01 0.8854
274 SR1 0.8853
275 URQ 0.8851
276 3CE 0.8851
277 4XV 0.8850
278 G1O 0.8850
279 GDE 0.8850
280 ZZ3 0.8847
281 ZVO 0.8840
282 Q88 0.8839
283 KIF 0.8838
284 KOJ 0.8837
285 ES6 0.8837
286 DIE 0.8836
287 V6F 0.8835
288 GC3 0.8834
289 4AA 0.8833
290 3Z8 0.8833
291 ARA 0.8833
292 3DO 0.8832
293 3U4 0.8827
294 JKE 0.8826
295 C2U 0.8826
296 2EC 0.8826
297 2C9 0.8823
298 ROR 0.8822
299 8TX 0.8822
300 GIO 0.8820
301 GFP 0.8820
302 2TQ 0.8819
303 3FA 0.8819
304 JTH 0.8818
305 J9W 0.8816
306 FLM 0.8815
307 MBD 0.8813
308 S76 0.8813
309 2XX 0.8813
310 FLC 0.8813
311 QIC 0.8812
312 MAQ 0.8812
313 2ZQ 0.8811
314 CIP 0.8811
315 HZQ 0.8810
316 2ZV 0.8810
317 PE0 0.8810
318 5RG 0.8809
319 KIA 0.8809
320 2A7 0.8806
321 XQ0 0.8806
322 XQG 0.8805
323 JXN 0.8805
324 3MC 0.8804
325 3MH 0.8803
326 M1Q 0.8802
327 VOH 0.8802
328 6M1 0.8800
329 GP1 0.8800
330 94N 0.8799
331 FLV 0.8799
332 JV4 0.8798
333 FPK 0.8798
334 SR4 0.8798
335 3C7 0.8798
336 0LH 0.8796
337 3NT 0.8796
338 7MH 0.8796
339 3Z7 0.8795
340 LRH 0.8792
341 42C 0.8792
342 R1X 0.8791
343 R2B 0.8791
344 B53 0.8790
345 9TZ 0.8789
346 AH8 0.8788
347 VK3 0.8787
348 2DR 0.8787
349 4XS 0.8787
350 7ZE 0.8786
351 FDB 0.8782
352 GLU 0.8782
353 HH5 0.8781
354 MT0 0.8780
355 XXP 0.8780
356 GZL 0.8779
357 NBG 0.8779
358 AZA 0.8779
359 FP1 0.8778
360 UNC 0.8778
361 6HQ 0.8777
362 B62 0.8775
363 KLW 0.8772
364 495 0.8770
365 SER PRO 0.8766
366 BCU 0.8766
367 GTR 0.8765
368 3FH 0.8764
369 CAX 0.8764
370 FFP 0.8763
371 TTY 0.8762
372 1U6 0.8762
373 M0W 0.8761
374 3C2 0.8761
375 PAF 0.8761
376 DPZ 0.8760
377 SKM 0.8760
378 GPM 0.8760
379 1AB 0.8758
380 5CU 0.8758
381 0W8 0.8754
382 ORO 0.8754
383 INE 0.8754
384 3C1 0.8751
385 PYQ 0.8750
386 MO8 0.8749
387 N7P 0.8749
388 IGA 0.8747
389 EDG 0.8747
390 HMQ 0.8747
391 ZZ8 0.8746
392 LTM 0.8746
393 S3B 0.8745
394 MWP 0.8745
395 LZM 0.8742
396 HMU 0.8741
397 HPA 0.8740
398 JIF 0.8740
399 VNL 0.8738
400 1XM 0.8737
401 PX7 0.8736
402 M1H 0.8734
403 141 0.8734
404 ASP 0.8734
405 DIU 0.8734
406 QSH 0.8733
407 BZX 0.8733
408 AZG 0.8733
409 260 0.8731
410 7HQ 0.8731
411 NCD 0.8728
412 7HP 0.8728
413 2CL 0.8727
414 NSG 0.8727
415 GNL 0.8727
416 ADE 0.8725
417 GDL 0.8723
418 5WY 0.8723
419 K2P 0.8723
420 EV0 0.8723
421 DFU 0.8722
422 AW5 0.8722
423 67N 0.8721
424 AZ8 0.8720
425 6AP 0.8719
426 8EZ 0.8719
427 35C 0.8717
428 LOG 0.8716
429 SRO 0.8715
430 HNQ 0.8715
431 GAB 0.8713
432 L3Q 0.8713
433 15L 0.8712
434 ZZT 0.8711
435 AQO 0.8710
436 IBM 0.8710
437 2LP 0.8710
438 OTD 0.8709
439 CFF 0.8708
440 F5B 0.8707
441 KP6 0.8707
442 VNJ 0.8707
443 D07 0.8704
444 0P6 0.8703
445 7NI 0.8702
446 ECG 0.8702
447 8XQ 0.8701
448 3HB 0.8701
449 1XN 0.8701
450 290 0.8701
451 A2F 0.8700
452 DX4 0.8700
453 MEW 0.8700
454 Q24 0.8698
455 RBL 0.8698
456 EJZ 0.8698
457 BOA 0.8695
458 RUU 0.8694
459 ENL 0.8693
460 DNC 0.8693
461 QAS 0.8692
462 NQ 0.8690
463 32X 0.8690
464 JBQ 0.8690
465 FPY 0.8688
466 JKZ 0.8688
467 CN0 0.8687
468 1XX 0.8686
469 D1X 0.8684
470 AS3 0.8683
471 IPZ 0.8683
472 PRF 0.8683
473 BTY 0.8682
474 FBG 0.8681
475 8H8 0.8681
476 IBF 0.8680
477 M5K 0.8680
478 HFB 0.8680
479 AJ2 0.8680
480 18N 0.8680
481 40O 0.8680
482 AI2 0.8677
483 5NU 0.8675
484 9KH 0.8675
485 1LQ 0.8674
486 ISD 0.8672
487 F05 0.8672
488 TBP 0.8670
489 RXA 0.8670
490 1LN 0.8670
491 BCF 0.8670
492 XXG 0.8666
493 BSX 0.8666
494 54G 0.8666
495 KDO 0.8664
496 R8V 0.8663
497 UAN 0.8662
498 0CU 0.8661
499 H33 0.8660
500 9KT 0.8660
501 BCP 0.8660
502 YH7 0.8659
503 57O 0.8658
504 FBT 0.8658
505 BBF 0.8658
506 DOB 0.8657
507 CBF 0.8656
508 24B 0.8656
509 98J 0.8656
510 209 0.8655
511 PQ0 0.8653
512 5M0 0.8653
513 HA7 0.8651
514 CFP 0.8650
515 42A 0.8649
516 4ME 0.8645
517 YQA 0.8645
518 YHO 0.8644
519 DHB 0.8644
520 5OB 0.8643
521 DHQ 0.8642
522 FA0 0.8641
523 NEQ 0.8641
524 PCI 0.8640
525 LDU 0.8639
526 HHT 0.8636
527 KAI 0.8636
528 BTE 0.8635
529 4M0 0.8634
530 Q7A 0.8631
531 AOS 0.8631
532 QPR 0.8629
533 7WR 0.8628
534 44V 0.8628
535 5RN 0.8626
536 FA3 0.8625
537 QAT 0.8623
538 3SK 0.8621
539 M5N 0.8621
540 DBX 0.8621
541 TBS 0.8620
542 5CL 0.8620
543 APZ 0.8620
544 VC2 0.8619
545 OA3 0.8618
546 DRL 0.8615
547 CWM 0.8614
548 HMH 0.8611
549 OXC 0.8611
550 NSP 0.8611
551 JZ4 0.8610
552 ES0 0.8610
553 HIO 0.8610
554 B55 0.8609
555 GJS 0.8607
556 OHP 0.8605
557 M1A 0.8603
558 URF 0.8602
559 F0J 0.8601
560 4XH 0.8600
561 GM7 0.8599
562 4NC 0.8597
563 WBU 0.8595
564 2PG 0.8594
565 OMD 0.8594
566 N5J 0.8592
567 5Q0 0.8590
568 5SG 0.8590
569 4NG 0.8589
570 IT9 0.8589
571 CAH 0.8589
572 39U 0.8588
573 K17 0.8588
574 LDP 0.8588
575 JFD 0.8587
576 SHA 0.8587
577 9BZ 0.8586
578 MUA 0.8586
579 FGZ 0.8584
580 Z5P 0.8582
581 5JQ 0.8582
582 HQD 0.8580
583 1NP 0.8580
584 HQY 0.8580
585 ES1 0.8580
586 JPZ 0.8574
587 X05 0.8573
588 2D0 0.8570
589 226 0.8570
590 IV2 0.8570
591 O7U 0.8569
592 4YS 0.8565
593 1SQ 0.8562
594 9TY 0.8562
595 SX1 0.8561
596 TMH 0.8561
597 LI6 0.8560
598 5IQ 0.8560
599 4MU 0.8560
600 GZ8 0.8560
601 TNE 0.8557
602 IP0 0.8556
603 2CG 0.8555
604 4CS 0.8555
605 O2A 0.8553
606 F1A 0.8553
607 TOF 0.8550
608 SOR 0.8550
609 8IG 0.8544
610 7WV 0.8537
611 TLA 0.8533
612 7N0 0.8531
613 5MK 0.8528
614 24W 0.8526
615 TAR 0.8525
616 8CM 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R51; Ligand: MMA; 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: 3r51.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3R51; Ligand: MMA; 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: 3r51.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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