Receptor
PDB id Resolution Class Description Source Keywords
5JOX 1.8 Å EC: 3.2.1.55 BACTEROIDES OVATUS XYLOGLUCAN PUL GH43A IN COMPLEX WITH ARAD BACTEROIDES OVATUS GLYCOSIDE HYDROLASE GH43 HYDROLASE
Ref.: STRUCTURAL DISSECTION OF A COMPLEX BACTEROIDES OVAT LOCUS CONFERRING XYLOGLUCAN METABOLISM IN THE HUMAN OPEN BIOLOGY V. 6 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDG B:601;
A:601;
Valid;
Valid;
none;
none;
Kd = 35 uM
133.146 C5 H11 N O3 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JOX 1.8 Å EC: 3.2.1.55 BACTEROIDES OVATUS XYLOGLUCAN PUL GH43A IN COMPLEX WITH ARAD BACTEROIDES OVATUS GLYCOSIDE HYDROLASE GH43 HYDROLASE
Ref.: STRUCTURAL DISSECTION OF A COMPLEX BACTEROIDES OVAT LOCUS CONFERRING XYLOGLUCAN METABOLISM IN THE HUMAN OPEN BIOLOGY V. 6 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5JOY - 6LW C5 H9 N O5 C([C@H]1[C....
2 5JOX Kd = 35 uM EDG C5 H11 N O3 C1[C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5JOY - 6LW C5 H9 N O5 C([C@H]1[C....
2 5JOX Kd = 35 uM EDG C5 H11 N O3 C1[C@@H]([....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5Z5F - FUB C5 H10 O5 C([C@H]1[C....
2 5Z5I - FUB C5 H10 O5 C([C@H]1[C....
3 5Z5H - XYS C5 H10 O5 C1[C@H]([C....
4 5ZQS - XYP XYP n/a n/a
5 5ZQX - XYP XYP n/a n/a
6 5JOY - 6LW C5 H9 N O5 C([C@H]1[C....
7 5JOX Kd = 35 uM EDG C5 H11 N O3 C1[C@@H]([....
8 2EXJ - XYS XYS n/a n/a
9 2EXK - XYS XYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EDG; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 EDG 1 1
2 IMR 1 1
3 LDU 1 1
4 1AB 1 1
5 DMJ 0.703704 0.853659
6 DGJ 0.703704 0.853659
7 NOJ 0.703704 0.853659
8 AZF 0.46875 0.744681
9 AGK 0.46875 0.744681
Similar Ligands (3D)
Ligand no: 1; Ligand: EDG; Similar ligands found: 766
No: Ligand Similarity coefficient
1 AHR 0.9832
2 JZ3 0.9809
3 HBA 0.9767
4 URF 0.9739
5 R8A 0.9723
6 NK 0.9698
7 R2B 0.9686
8 MZW 0.9663
9 WBU 0.9650
10 4CH 0.9649
11 BML 0.9649
12 0R0 0.9633
13 4VP 0.9620
14 SYN 0.9615
15 ABN 0.9614
16 HBX 0.9607
17 FUB 0.9606
18 51F 0.9594
19 TZE 0.9592
20 DFB 0.9565
21 HGQ 0.9565
22 1MR 0.9560
23 R1X 0.9541
24 286 0.9533
25 4JU 0.9528
26 23W 0.9525
27 BEW 0.9522
28 2MH 0.9520
29 PYG 0.9517
30 1LN 0.9513
31 APY 0.9512
32 NEQ 0.9504
33 T6C 0.9503
34 FPI 0.9496
35 4JL 0.9495
36 AMC 0.9493
37 FP1 0.9492
38 3XX 0.9486
39 SAL 0.9473
40 FBA 0.9470
41 261 0.9466
42 IFM 0.9461
43 280 0.9455
44 FYU 0.9453
45 PRY 0.9452
46 RIB 0.9452
47 BE2 0.9449
48 278 0.9446
49 JZ4 0.9443
50 LER 0.9441
51 7MH 0.9441
52 BSX 0.9440
53 9X7 0.9432
54 GAG 0.9432
55 MRY 0.9421
56 URA 0.9414
57 PCA 0.9411
58 1PT 0.9410
59 XYP 0.9409
60 ILE 0.9408
61 282 0.9407
62 JZ1 0.9406
63 HHA 0.9403
64 OHG 0.9402
65 32O 0.9395
66 NBE 0.9395
67 69O 0.9394
68 8H8 0.9392
69 2LP 0.9390
70 4XR 0.9389
71 CRS 0.9389
72 PYJ 0.9386
73 PY7 0.9381
74 IPH 0.9376
75 KG7 0.9376
76 BEN 0.9375
77 C2B 0.9374
78 BEZ 0.9369
79 2KT 0.9367
80 CXF 0.9366
81 CEJ 0.9363
82 BDR 0.9361
83 LRH 0.9361
84 HMH 0.9361
85 GIF 0.9360
86 KSW 0.9358
87 LG4 0.9356
88 BAM 0.9352
89 5AC 0.9349
90 FPY 0.9348
91 IDM 0.9345
92 PBC 0.9345
93 HMU 0.9343
94 B24 0.9341
95 OXZ 0.9339
96 NBZ 0.9337
97 26D 0.9337
98 6PC 0.9334
99 40O 0.9331
100 JZ5 0.9328
101 NCA 0.9328
102 JKE 0.9326
103 3HA 0.9324
104 9CL 0.9324
105 CRN 0.9323
106 ES6 0.9322
107 284 0.9319
108 PHB 0.9319
109 GYE 0.9317
110 34V 0.9315
111 LMR 0.9315
112 UNU 0.9315
113 4HS 0.9313
114 3M0 0.9313
115 PZA 0.9311
116 HQE 0.9311
117 DAB 0.9309
118 KOJ 0.9307
119 HPA 0.9307
120 HY1 0.9306
121 KYD 0.9305
122 NVA 0.9305
123 HSE 0.9304
124 ZZT 0.9304
125 NPO 0.9304
126 NVI 0.9299
127 Z6J 0.9299
128 9YL 0.9298
129 PXY 0.9297
130 MAK 0.9297
131 KIV 0.9293
132 BTE 0.9291
133 NIO 0.9291
134 PCR 0.9290
135 IDH 0.9289
136 3U4 0.9289
137 F81 0.9289
138 2IM 0.9286
139 XYS 0.9284
140 BZX 0.9283
141 6M4 0.9282
142 TH7 0.9279
143 NCM 0.9278
144 25R 0.9276
145 H8N 0.9275
146 IOL 0.9272
147 HPY 0.9269
148 ASP 0.9269
149 MMZ 0.9266
150 DBH 0.9264
151 SRT 0.9264
152 RSF 0.9260
153 F05 0.9260
154 NTN 0.9259
155 ADE 0.9259
156 RP7 0.9259
157 2XX 0.9259
158 DTU 0.9258
159 HZP 0.9256
160 4XX 0.9255
161 60P 0.9254
162 4JN 0.9253
163 ICC 0.9250
164 QSC 0.9250
165 LXC 0.9250
166 8EZ 0.9248
167 2DR 0.9247
168 OAA 0.9247
169 260 0.9247
170 4HO 0.9246
171 SVJ 0.9245
172 ARA 0.9244
173 2PC 0.9244
174 COI 0.9242
175 ECE 0.9241
176 RUU 0.9241
177 PRI 0.9241
178 MLA 0.9240
179 YHO 0.9239
180 24B 0.9239
181 HCS 0.9239
182 7A8 0.9238
183 7N0 0.9238
184 1WD 0.9237
185 ARB 0.9236
186 6F0 0.9236
187 ROR 0.9235
188 271 0.9234
189 3F0 0.9234
190 M58 0.9233
191 1DU 0.9231
192 IP0 0.9231
193 GRE 0.9230
194 3PY 0.9228
195 MCT 0.9227
196 MB3 0.9227
197 RB0 0.9226
198 RB5 0.9226
199 XYL 0.9226
200 SS2 0.9223
201 BVC 0.9220
202 AC6 0.9220
203 DTT 0.9219
204 YCP 0.9219
205 3SK 0.9217
206 VNJ 0.9215
207 MZG 0.9214
208 MLI 0.9214
209 MWJ 0.9214
210 V1L 0.9213
211 7HP 0.9212
212 G4D 0.9211
213 PEL 0.9210
214 PLQ 0.9209
215 THR 0.9209
216 GLC 0.9206
217 BP9 0.9206
218 PBZ 0.9204
219 UY7 0.9200
220 SER 0.9198
221 OXQ 0.9197
222 SS1 0.9197
223 CXL 0.9196
224 H3M 0.9195
225 TMZ 0.9194
226 XBZ 0.9194
227 3DM 0.9194
228 0MK 0.9193
229 93B 0.9193
230 1XX 0.9192
231 CYH 0.9192
232 GBD 0.9190
233 ARW 0.9190
234 A1U 0.9189
235 NMJ 0.9188
236 6M1 0.9188
237 H76 0.9186
238 BVG 0.9185
239 JZ7 0.9183
240 RSO 0.9181
241 CAQ 0.9180
242 TNE 0.9179
243 ALO 0.9178
244 KP6 0.9177
245 HVQ 0.9177
246 9TY 0.9175
247 MZ0 0.9175
248 PYD 0.9174
249 BR9 0.9173
250 2AC 0.9172
251 4JJ 0.9172
252 A2Q 0.9171
253 2CK 0.9170
254 MNM 0.9169
255 RIP 0.9169
256 PRO 0.9168
257 PEA 0.9166
258 1MC 0.9166
259 FUL 0.9164
260 TMT 0.9164
261 27Y 0.9163
262 DA1 0.9162
263 FPN 0.9162
264 HY3 0.9162
265 DGY 0.9162
266 GLL 0.9161
267 ASN 0.9161
268 FUF 0.9161
269 CAM 0.9161
270 MRZ 0.9158
271 IFL 0.9157
272 HIU 0.9157
273 JZ9 0.9157
274 IOM 0.9156
275 HAI 0.9156
276 6UA 0.9154
277 PTO 0.9154
278 4CL 0.9153
279 NSP 0.9150
280 717 0.9150
281 SMV 0.9148
282 3CE 0.9148
283 JBN 0.9148
284 QDK 0.9147
285 5JC 0.9147
286 DOB 0.9147
287 EHM 0.9146
288 XYD 0.9146
289 Y8I 0.9143
290 MWM 0.9141
291 3ZQ 0.9137
292 23A 0.9136
293 DFU 0.9135
294 PZM 0.9133
295 RHU 0.9133
296 CEE 0.9132
297 DTL 0.9131
298 PAV 0.9131
299 DUC 0.9131
300 4ZE 0.9131
301 CYS 0.9130
302 DSN 0.9127
303 5CU 0.9127
304 VAL 0.9126
305 B53 0.9123
306 ABA 0.9122
307 47J 0.9122
308 G2F 0.9121
309 JZ2 0.9121
310 FCA 0.9121
311 CIZ 0.9120
312 TM4 0.9119
313 MAN 0.9119
314 VAH 0.9119
315 03W 0.9118
316 FUC 0.9117
317 MAE 0.9111
318 3FA 0.9111
319 TH0 0.9111
320 ICP 0.9110
321 PZI 0.9110
322 UYA 0.9108
323 4DX 0.9108
324 P3K 0.9107
325 FQI 0.9107
326 PYF 0.9107
327 L60 0.9107
328 C2N 0.9107
329 DE2 0.9106
330 SIN 0.9106
331 PYC 0.9106
332 275 0.9105
333 DCY 0.9104
334 BNS 0.9104
335 VGL 0.9102
336 SNE 0.9101
337 4SV 0.9100
338 HIO 0.9100
339 XM0 0.9098
340 RCO 0.9098
341 2YU 0.9097
342 DAS 0.9096
343 MBD 0.9096
344 AKB 0.9095
345 XLS 0.9095
346 PAF 0.9093
347 6MH 0.9093
348 2MY 0.9091
349 TDR 0.9090
350 PBE 0.9090
351 40E 0.9086
352 HYA 0.9085
353 2C9 0.9085
354 4JO 0.9085
355 12M 0.9083
356 SMB 0.9083
357 HSM 0.9082
358 DCD 0.9082
359 3MC 0.9079
360 7WG 0.9078
361 DMG 0.9076
362 DXX 0.9076
363 RBL 0.9071
364 MLT 0.9071
365 43M 0.9071
366 BAE 0.9070
367 6HQ 0.9070
368 4PW 0.9070
369 TLA 0.9070
370 2EZ 0.9070
371 ICN 0.9068
372 34A 0.9068
373 HUI 0.9068
374 THE 0.9066
375 YRL 0.9064
376 64K 0.9064
377 TFB 0.9064
378 MFB 0.9063
379 4FA 0.9063
380 5MH 0.9062
381 3MH 0.9059
382 GMN 0.9059
383 5NU 0.9059
384 HEW 0.9058
385 4JM 0.9058
386 LCN 0.9055
387 FA0 0.9054
388 5UC 0.9051
389 4CS 0.9051
390 NXA 0.9051
391 5FX 0.9051
392 TZZ 0.9050
393 GOO 0.9049
394 B3R 0.9049
395 A3B 0.9048
396 192 0.9047
397 2CM 0.9046
398 GAL 0.9046
399 3V4 0.9046
400 LEU 0.9043
401 JIF 0.9043
402 DIE 0.9043
403 FFP 0.9041
404 ABE 0.9039
405 XUL 0.9038
406 2MP 0.9037
407 TM7 0.9036
408 3Z7 0.9034
409 4M0 0.9031
410 285 0.9029
411 C2A 0.9029
412 3CH 0.9029
413 BVF 0.9029
414 DUB 0.9028
415 IT2 0.9026
416 CMS 0.9026
417 DMV 0.9023
418 GZL 0.9021
419 53C 0.9016
420 1P3 0.9016
421 FLM 0.9016
422 TAR 0.9016
423 FOA 0.9015
424 3OC 0.9013
425 IF7 0.9012
426 LYL 0.9011
427 TLD 0.9010
428 FLA 0.9008
429 HT4 0.9008
430 HYP 0.9007
431 CYT 0.9007
432 LG3 0.9006
433 39J 0.9005
434 4SD 0.9003
435 ICF 0.9001
436 UGC 0.9000
437 BHA 0.9000
438 DBB 0.8998
439 KPL 0.8997
440 YTB 0.8996
441 ITN 0.8995
442 LG5 0.8995
443 7WV 0.8994
444 FUM 0.8992
445 GLU 0.8992
446 M3T 0.8990
447 6LW 0.8990
448 7EX 0.8988
449 DHS 0.8985
450 JYD 0.8983
451 GLA 0.8981
452 TEO 0.8981
453 2AS 0.8980
454 C21 0.8980
455 2TQ 0.8979
456 ZZ3 0.8978
457 CFI 0.8976
458 938 0.8976
459 AC5 0.8975
460 273 0.8974
461 0TR 0.8972
462 35C 0.8970
463 TP5 0.8969
464 GTQ 0.8969
465 DPR 0.8968
466 FB1 0.8968
467 2CO 0.8967
468 R9S 0.8967
469 DHK 0.8964
470 GXE 0.8964
471 IT9 0.8962
472 TTO 0.8962
473 BGC 0.8961
474 IPB 0.8958
475 4H2 0.8958
476 G3F 0.8958
477 RBJ 0.8958
478 7CZ 0.8957
479 8S0 0.8956
480 ASO 0.8954
481 GIV 0.8953
482 FBV 0.8952
483 5RG 0.8952
484 SSN 0.8951
485 23B 0.8951
486 ZBT 0.8951
487 AEF 0.8950
488 RM1 0.8948
489 92Z 0.8948
490 8GF 0.8948
491 94N 0.8948
492 NIZ 0.8946
493 URP 0.8946
494 GAF 0.8946
495 PMB 0.8945
496 5M0 0.8945
497 8LG 0.8944
498 BHO 0.8944
499 HRZ 0.8943
500 CIG 0.8941
501 RAM 0.8940
502 QY9 0.8940
503 HGW 0.8939
504 JBE 0.8939
505 25T 0.8939
506 XXR 0.8938
507 93Q 0.8938
508 MBN 0.8937
509 SEJ 0.8937
510 2CH 0.8934
511 4AX 0.8933
512 IQ0 0.8933
513 FPK 0.8932
514 AAE 0.8932
515 270 0.8931
516 DEN 0.8930
517 MET 0.8930
518 FP2 0.8930
519 258 0.8930
520 I2M 0.8927
521 AX7 0.8926
522 PIH 0.8926
523 A65 0.8926
524 L3Q 0.8923
525 HHQ 0.8923
526 ISZ 0.8922
527 54G 0.8922
528 1AN 0.8921
529 4AP 0.8917
530 HVK 0.8916
531 2AP 0.8916
532 1AC 0.8915
533 BZF 0.8915
534 1DH 0.8914
535 3AP 0.8914
536 2RA 0.8913
537 95Z 0.8912
538 BMA 0.8911
539 9PO 0.8911
540 WOT 0.8910
541 ORN 0.8910
542 LGA 0.8909
543 GLF 0.8907
544 HDA 0.8907
545 JZ0 0.8905
546 NOY 0.8905
547 TMH 0.8904
548 AC0 0.8904
549 OEM 0.8903
550 IND 0.8900
551 IUR 0.8899
552 2A9 0.8898
553 FEH 0.8898
554 SR1 0.8897
555 NMG 0.8897
556 268 0.8895
557 HTS 0.8895
558 BDF 0.8895
559 LDP 0.8894
560 J1Z 0.8894
561 SJ5 0.8894
562 QFH 0.8894
563 CSS 0.8894
564 9EW 0.8891
565 PAE 0.8891
566 BZI 0.8889
567 8CL 0.8885
568 94B 0.8885
569 OHP 0.8884
570 2H5 0.8882
571 9TZ 0.8882
572 PEP 0.8882
573 HHN 0.8882
574 KMT 0.8882
575 SHA 0.8878
576 149 0.8877
577 6X8 0.8877
578 ABU 0.8877
579 98J 0.8875
580 GVH 0.8874
581 GCS 0.8872
582 FCB 0.8871
583 6KX 0.8871
584 MSN 0.8870
585 449 0.8870
586 URQ 0.8869
587 4JP 0.8869
588 MPI 0.8869
589 X6X 0.8867
590 SYG 0.8866
591 GXL 0.8866
592 5MK 0.8863
593 AFR 0.8858
594 MFU 0.8858
595 DMI 0.8857
596 HYN 0.8856
597 LZ1 0.8856
598 CP 0.8856
599 SOE 0.8853
600 RM4 0.8850
601 WOO 0.8850
602 RNS 0.8847
603 4HM 0.8847
604 7VJ 0.8846
605 FBT 0.8846
606 2ZV 0.8846
607 O7U 0.8846
608 0R1 0.8844
609 OPE 0.8844
610 SPV 0.8840
611 HSL 0.8838
612 FDK 0.8836
613 YIO 0.8836
614 ZWZ 0.8836
615 SGL 0.8834
616 F9P 0.8834
617 2AL 0.8834
618 XBT 0.8831
619 24T 0.8830
620 2AF 0.8830
621 AHB 0.8830
622 FE DB1 0.8827
623 0CT 0.8827
624 3DO 0.8824
625 FW5 0.8819
626 MZB 0.8819
627 BAQ 0.8818
628 OXE 0.8817
629 3RK 0.8816
630 54D 0.8814
631 2HE 0.8814
632 WTZ 0.8813
633 QOS 0.8811
634 DTI 0.8811
635 KBG 0.8808
636 HV2 0.8806
637 E60 0.8806
638 PA1 0.8805
639 3DY 0.8805
640 BDP 0.8805
641 ATQ 0.8800
642 2FG 0.8800
643 FH2 0.8789
644 IHG 0.8789
645 DIG 0.8788
646 JFD 0.8788
647 PRS 0.8787
648 2A7 0.8785
649 SC2 0.8785
650 AH8 0.8785
651 5DI 0.8785
652 PRZ 0.8783
653 MXN 0.8783
654 L89 0.8782
655 6AI 0.8781
656 PAC 0.8779
657 F60 0.8778
658 EXO 0.8777
659 FB2 0.8776
660 2K4 0.8775
661 10L 0.8773
662 4RW 0.8771
663 IPZ 0.8769
664 ALL 0.8769
665 ASC 0.8767
666 948 0.8766
667 I4B 0.8765
668 1CB 0.8764
669 5MB 0.8764
670 1DQ 0.8762
671 DS0 0.8762
672 N4B 0.8762
673 IZC 0.8757
674 JFJ 0.8756
675 3SL 0.8753
676 2CL 0.8753
677 7WA 0.8752
678 XIX 0.8751
679 PGA 0.8751
680 RNT 0.8747
681 MMA 0.8747
682 0V5 0.8746
683 FRU 0.8745
684 1SA 0.8745
685 MED 0.8740
686 DHR 0.8740
687 76X 0.8740
688 6CS 0.8740
689 GLN 0.8739
690 1DJ 0.8735
691 MLM 0.8734
692 1DW 0.8734
693 BUA 0.8733
694 LGC 0.8732
695 BP1 0.8730
696 13P 0.8728
697 MSE 0.8727
698 MNN 0.8724
699 82I 0.8723
700 3HL 0.8723
701 GG6 0.8723
702 ES4 0.8721
703 M2H 0.8720
704 BE7 0.8719
705 1GN 0.8719
706 265 0.8717
707 ODV 0.8714
708 S76 0.8713
709 9HX 0.8711
710 MUC 0.8703
711 GBL 0.8703
712 42J 0.8700
713 BAL 0.8695
714 DYA 0.8695
715 9DA 0.8695
716 PG3 0.8694
717 YAN 0.8690
718 PM6 0.8689
719 5HY 0.8688
720 HDH 0.8687
721 6MP 0.8686
722 R67 0.8685
723 SPA 0.8683
724 GLT 0.8678
725 FSG 0.8677
726 PPR 0.8677
727 DGL 0.8675
728 AKG 0.8672
729 AX2 0.8671
730 6SP 0.8670
731 LFR 0.8668
732 AOA 0.8665
733 AUD 0.8664
734 WDL 0.8663
735 SWD 0.8658
736 PRA 0.8651
737 I1E 0.8650
738 3OH 0.8647
739 3AY 0.8642
740 4NG 0.8642
741 5AN 0.8638
742 3IT 0.8638
743 PYR 0.8635
744 3HR 0.8635
745 13X 0.8633
746 SF9 0.8630
747 GOL 0.8623
748 ZXD 0.8618
749 TFU 0.8618
750 5ZE 0.8617
751 BNF 0.8616
752 MZY 0.8616
753 2ZX 0.8613
754 HX2 0.8612
755 PSV 0.8610
756 SX1 0.8600
757 BR8 0.8595
758 DCL 0.8595
759 N7P 0.8586
760 AEG 0.8586
761 BUO 0.8584
762 ERH 0.8564
763 DZX 0.8562
764 3AL 0.8557
765 ACH 0.8540
766 XQG 0.8529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JOX; Ligand: EDG; 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: 5jox.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5JOX; Ligand: EDG; 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: 5jox.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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