Receptor
PDB id Resolution Class Description Source Keywords
5MQM 2.11 Å EC: 3.-.-.- GLYCOSIDE HYDROLASE BT_0986 BACTEROIDES THETAIOTAOMICRON GLYCOSIDE HYDROLASE RHAMNOSIDASE PLANT PECTIN CAZY FAMILYHYDROLASE
Ref.: COMPLEX PECTIN METABOLISM BY GUT BACTERIA REVEALS N CATALYTIC FUNCTIONS. NATURE V. 544 65 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1202;
A:1203;
A:1201;
 Invalid;
Invalid;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
RPQ A:1204;
 Valid;
 none;
 submit data
186.169 C6 H10 N4 O3 C[C@H...
PG4 A:1206;
A:1205;
 Invalid;
Invalid;
 none;
none;
 submit data
194.226 C8 H18 O5 C(COC...
PGE A:1207;
A:1208;
 Invalid;
Invalid;
 none;
none;
 submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MWK 2 Å EC: 3.-.-.- GLYCOSIDE HYDROLASE BT_0986 BACTEROIDES THETAIOTAOMICRON GLYCOSIDE HYDROLASE RHAMNOSIDASE PLANT PECTIN CAZY FAMILYHYDROLASE
Ref.: COMPLEX PECTIN METABOLISM BY GUT BACTERIA REVEALS N CATALYTIC FUNCTIONS. NATURE V. 544 65 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5MQM - RPQ C6 H10 N4 O3 C[C@H]1[C@....
2 5MWK - RAM 8OQ GAL 8PK ARA RAM n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5MQM - RPQ C6 H10 N4 O3 C[C@H]1[C@....
2 5MWK - RAM 8OQ GAL 8PK ARA RAM n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5MQM - RPQ C6 H10 N4 O3 C[C@H]1[C@....
2 5MWK - RAM 8OQ GAL 8PK ARA RAM n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RPQ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RPQ 1 1
2 NTZ 0.456522 0.854545
3 GTZ 0.456522 0.854545
Similar Ligands (3D)
Ligand no: 1; Ligand: RPQ; Similar ligands found: 703
No: Ligand Similarity coefficient
1 TEP 0.9816
2 2H5 0.9658
3 GLC 0.9648
4 MVL 0.9638
5 CFF 0.9598
6 GAL 0.9570
7 BGC 0.9545
8 INS 0.9529
9 PFB 0.9527
10 GRE 0.9504
11 DQN 0.9493
12 GIM 0.9488
13 K17 0.9484
14 2FG 0.9467
15 HFB 0.9462
16 SHG 0.9459
17 ISE 0.9450
18 I1N 0.9444
19 MBG 0.9433
20 6F0 0.9420
21 9DG 0.9414
22 G3F 0.9412
23 MT5 0.9412
24 CTS 0.9410
25 1GN 0.9407
26 HQD 0.9400
27 GCU 0.9395
28 GUN 0.9393
29 XAN 0.9377
30 AEZ 0.9370
31 G2F 0.9367
32 BDP 0.9361
33 MAN 0.9350
34 6M1 0.9339
35 NQ 0.9338
36 LGC 0.9333
37 VK3 0.9333
38 X6X 0.9332
39 HLZ 0.9320
40 ZB1 0.9317
41 2ZV 0.9312
42 4HC 0.9312
43 BBF 0.9308
44 PYQ 0.9303
45 TBS 0.9301
46 HTP 0.9300
47 Q6T 0.9299
48 JBQ 0.9292
49 PCI 0.9290
50 25W 0.9281
51 GCV 0.9280
52 9KT 0.9280
53 DBH 0.9277
54 IBF 0.9276
55 URC 0.9273
56 GLF 0.9268
57 FOT 0.9267
58 NOJ 0.9265
59 X05 0.9262
60 8S0 0.9254
61 680 0.9254
62 RXA 0.9252
63 3M0 0.9251
64 3F0 0.9251
65 HHA 0.9250
66 NDM 0.9250
67 3WA 0.9250
68 3PF 0.9249
69 141 0.9247
70 12B 0.9246
71 G1O 0.9246
72 3HA 0.9245
73 G5V 0.9244
74 GCS 0.9243
75 MMA 0.9242
76 JUG 0.9240
77 AZG 0.9239
78 7ZE 0.9237
79 RAM 0.9231
80 HH5 0.9227
81 B57 0.9224
82 AZA 0.9223
83 IGA 0.9217
84 PA1 0.9216
85 LI6 0.9212
86 PXL 0.9210
87 YH7 0.9210
88 9MG 0.9206
89 ZVO 0.9205
90 A2F 0.9200
91 F3B 0.9199
92 6AP 0.9198
93 EVA 0.9196
94 3MG 0.9195
95 1XM 0.9195
96 PHH 0.9192
97 SJ5 0.9191
98 KBG 0.9190
99 GCB 0.9189
100 209 0.9188
101 ASO 0.9188
102 J9W 0.9187
103 TTL 0.9186
104 FBT 0.9184
105 GLA 0.9181
106 3RK 0.9180
107 ADK 0.9180
108 H33 0.9180
109 HJP 0.9179
110 GIO 0.9178
111 329 0.9177
112 WOO 0.9176
113 HZQ 0.9174
114 KJY 0.9171
115 GLT 0.9170
116 K32 0.9169
117 RNS 0.9169
118 PE0 0.9169
119 BOA 0.9169
120 FCB 0.9168
121 39A 0.9168
122 CN0 0.9166
123 290 0.9166
124 GTR 0.9163
125 DX4 0.9161
126 3IT 0.9160
127 149 0.9157
128 MO8 0.9155
129 RM4 0.9153
130 DBJ 0.9150
131 5WX 0.9148
132 UQ 0.9148
133 6GU 0.9148
134 AZ8 0.9147
135 8XQ 0.9144
136 M0Q 0.9144
137 5NU 0.9143
138 M1Q 0.9143
139 AZ9 0.9143
140 BZX 0.9142
141 0CU 0.9141
142 67N 0.9140
143 5WY 0.9140
144 2ZQ 0.9137
145 5QX 0.9135
146 7VS 0.9135
147 8TX 0.9135
148 4AA 0.9131
149 DGJ 0.9130
150 37T 0.9130
151 FUL 0.9129
152 BE2 0.9129
153 FE DB1 0.9128
154 F5B 0.9125
155 EQT 0.9125
156 B60 0.9123
157 GAF 0.9123
158 M1A 0.9121
159 X09 0.9121
160 7NI 0.9120
161 NTM 0.9118
162 GIV 0.9117
163 DPZ 0.9115
164 AKH 0.9112
165 5RG 0.9110
166 3MA 0.9110
167 SAL 0.9109
168 M6N 0.9108
169 KIB 0.9107
170 BMA 0.9107
171 CFP 0.9104
172 XXR 0.9101
173 MEW 0.9099
174 AQO 0.9098
175 VNL 0.9095
176 12Q 0.9092
177 32X 0.9091
178 KJH 0.9091
179 06B 0.9091
180 15L 0.9090
181 GOX 0.9090
182 HQY 0.9089
183 94B 0.9088
184 IJZ 0.9087
185 N7P 0.9086
186 KYD 0.9084
187 5CU 0.9084
188 HPA 0.9083
189 DMD 0.9082
190 GOO 0.9081
191 DMJ 0.9081
192 R8V 0.9080
193 5QY 0.9079
194 PXM 0.9078
195 M5K 0.9077
196 Q24 0.9077
197 PRF 0.9075
198 1LQ 0.9074
199 B53 0.9074
200 FDB 0.9073
201 5RO 0.9073
202 UNC 0.9072
203 5Q0 0.9072
204 MZB 0.9071
205 MT0 0.9070
206 948 0.9070
207 5M0 0.9066
208 PX7 0.9065
209 AJ2 0.9065
210 7B4 0.9063
211 HQT 0.9063
212 DOB 0.9062
213 BCF 0.9060
214 INE 0.9060
215 LXC 0.9060
216 LT2 0.9059
217 95Z 0.9058
218 M0W 0.9055
219 BSP 0.9052
220 GYP 0.9051
221 7HP 0.9051
222 ADE 0.9050
223 5SG 0.9048
224 LSA 0.9048
225 K8X 0.9047
226 5RN 0.9045
227 CTL 0.9045
228 YSO 0.9043
229 3ID 0.9043
230 495 0.9041
231 EXO 0.9040
232 UEG 0.9040
233 DHQ 0.9038
234 G6D 0.9036
235 0N7 0.9035
236 KFH 0.9035
237 4YS 0.9034
238 BTE 0.9033
239 KIA 0.9031
240 3U4 0.9031
241 XYP 0.9030
242 LCN 0.9030
243 7VJ 0.9030
244 NID 0.9030
245 EA1 0.9029
246 XXP 0.9029
247 GTQ 0.9028
248 42C 0.9028
249 1NP 0.9027
250 1U6 0.9027
251 I3A 0.9026
252 ARA 0.9025
253 FA0 0.9024
254 ES1 0.9024
255 82I 0.9023
256 SWA 0.9023
257 GOG 0.9021
258 GTL 0.9020
259 DFB 0.9017
260 ES6 0.9017
261 MAQ 0.9017
262 54G 0.9015
263 M1E 0.9014
264 NGO 0.9014
265 75K 0.9013
266 GCW 0.9012
267 HNQ 0.9012
268 ADA 0.9012
269 0P6 0.9011
270 PQ0 0.9010
271 18N 0.9010
272 TTY 0.9010
273 CLZ 0.9009
274 BTY 0.9008
275 QX4 0.9006
276 IFL 0.9006
277 ASC 0.9005
278 QWW 0.9004
279 ADZ 0.9004
280 B55 0.9003
281 NOY 0.9003
282 7HQ 0.9002
283 OA3 0.9000
284 JBK 0.9000
285 7W1 0.9000
286 1SQ 0.8999
287 QX2 0.8998
288 3FH 0.8997
289 Z5P 0.8996
290 JKE 0.8995
291 5OB 0.8994
292 SOE 0.8990
293 24W 0.8990
294 C2U 0.8990
295 N5J 0.8990
296 1LM 0.8986
297 MFB 0.8984
298 GXL 0.8979
299 UAN 0.8976
300 4JT 0.8973
301 K6X 0.8972
302 QWN 0.8971
303 9TZ 0.8971
304 Q88 0.8971
305 AFR 0.8971
306 FUF 0.8970
307 G3E 0.8970
308 10L 0.8968
309 O72 0.8967
310 JPZ 0.8965
311 3Z8 0.8964
312 JBH 0.8963
313 FUC 0.8957
314 6CS 0.8957
315 BP1 0.8956
316 REL 0.8956
317 0W8 0.8955
318 XYS 0.8955
319 B62 0.8953
320 5IQ 0.8953
321 H6B 0.8953
322 7WA 0.8952
323 SYA 0.8952
324 F05 0.8952
325 4NC 0.8952
326 BHA 0.8951
327 FDK 0.8951
328 9HX 0.8950
329 BCP 0.8950
330 GYE 0.8948
331 D07 0.8946
332 9DA 0.8946
333 7B3 0.8945
334 5JQ 0.8942
335 ICO 0.8941
336 MNM 0.8941
337 F81 0.8941
338 0MK 0.8940
339 D48 0.8939
340 5DI 0.8937
341 1WD 0.8934
342 AMG 0.8930
343 KJU 0.8930
344 2EC 0.8929
345 ALL 0.8928
346 FH2 0.8928
347 XX2 0.8926
348 HMU 0.8925
349 4M0 0.8925
350 NDH 0.8922
351 44V 0.8922
352 LKA 0.8921
353 23A 0.8920
354 FYU 0.8919
355 F1A 0.8919
356 PHT 0.8918
357 SKM 0.8917
358 2CK 0.8917
359 YQA 0.8917
360 ES4 0.8913
361 7D2 0.8912
362 BNT 0.8912
363 BZ3 0.8912
364 6MP 0.8910
365 1XN 0.8910
366 8IG 0.8910
367 IFM 0.8908
368 9PY 0.8907
369 SE2 0.8907
370 5MK 0.8904
371 KLW 0.8903
372 K22 0.8902
373 MFU 0.8900
374 FLV 0.8900
375 DQU 0.8899
376 M1H 0.8897
377 HH8 0.8896
378 XAZ 0.8895
379 KT7 0.8892
380 SRO 0.8892
381 P9P 0.8887
382 ZZ8 0.8886
383 HA7 0.8886
384 JBE 0.8886
385 4XH 0.8884
386 ZWZ 0.8884
387 JKZ 0.8883
388 BEA 0.8883
389 3CU 0.8883
390 QXW 0.8882
391 TVP 0.8881
392 QBK 0.8881
393 TOF 0.8880
394 IV2 0.8879
395 PM6 0.8879
396 5JL 0.8879
397 SF9 0.8878
398 64K 0.8878
399 AHR 0.8877
400 T6C 0.8877
401 DHB 0.8876
402 INO 0.8876
403 3NT 0.8875
404 2MN 0.8873
405 6AI 0.8870
406 Q7A 0.8870
407 K5W 0.8869
408 6VD 0.8869
409 4PW 0.8869
410 NGT 0.8869
411 FBG 0.8868
412 4SV 0.8866
413 ARB 0.8866
414 GAB 0.8865
415 XHP 0.8865
416 SVN 0.8861
417 APZ 0.8861
418 DIU 0.8860
419 SXS 0.8860
420 6M4 0.8859
421 B0D 0.8859
422 5H1 0.8857
423 MA3 0.8856
424 H42 0.8854
425 SR4 0.8852
426 CIP 0.8852
427 KIF 0.8852
428 DHK 0.8851
429 CGB 0.8851
430 EJZ 0.8850
431 FCA 0.8849
432 DOR 0.8847
433 NMJ 0.8847
434 1P8 0.8845
435 7W4 0.8844
436 HXX 0.8843
437 JXN 0.8843
438 DRL 0.8843
439 QPR 0.8840
440 ES0 0.8840
441 J5I 0.8839
442 0FN 0.8839
443 ZZT 0.8837
444 DIE 0.8835
445 JIF 0.8834
446 YIO 0.8833
447 KKN 0.8832
448 5WV 0.8831
449 CWM 0.8830
450 VNJ 0.8830
451 BDF 0.8827
452 6ME 0.8827
453 2CL 0.8826
454 PRZ 0.8825
455 XQG 0.8824
456 MSN 0.8824
457 EMZ 0.8823
458 2K4 0.8823
459 3DM 0.8821
460 7MK 0.8821
461 226 0.8820
462 DIN 0.8820
463 5CL 0.8820
464 ISN 0.8820
465 GJS 0.8818
466 ES9 0.8818
467 A7W 0.8817
468 4NG 0.8815
469 KP6 0.8814
470 2KA 0.8813
471 CWS 0.8813
472 3C2 0.8812
473 GM7 0.8811
474 SYV 0.8810
475 MUA 0.8810
476 PBR 0.8810
477 5MB 0.8810
478 03V 0.8810
479 JFD 0.8810
480 5MI 0.8808
481 8CM 0.8808
482 KUF 0.8807
483 IPB 0.8807
484 FLC 0.8807
485 L3Q 0.8805
486 COU 0.8799
487 GT0 0.8798
488 4ME 0.8798
489 44W 0.8796
490 3XX 0.8796
491 RM1 0.8794
492 AZF 0.8794
493 FHN 0.8794
494 3HB 0.8793
495 7WV 0.8790
496 0FO 0.8790
497 14O 0.8786
498 SKA 0.8786
499 QAT 0.8786
500 ES2 0.8784
501 F60 0.8781
502 JB5 0.8781
503 MT8 0.8780
504 3C1 0.8780
505 ORO 0.8778
506 V55 0.8772
507 4CS 0.8771
508 5FN 0.8771
509 9EW 0.8771
510 MRW 0.8770
511 11S 0.8767
512 2D0 0.8766
513 XQ0 0.8763
514 F31 0.8762
515 1P3 0.8761
516 SVD 0.8760
517 RIP 0.8759
518 5GU 0.8759
519 293 0.8758
520 FK1 0.8757
521 D3M 0.8756
522 6BL 0.8756
523 ES5 0.8756
524 ES7 0.8755
525 HLR 0.8755
526 MVN 0.8755
527 2AQ 0.8754
528 OXC 0.8752
529 4FS 0.8752
530 1WG 0.8750
531 X8D 0.8750
532 HMH 0.8750
533 OCH 0.8748
534 FBV 0.8747
535 SHA 0.8747
536 H62 0.8747
537 4HM 0.8747
538 G4D 0.8745
539 FRU 0.8744
540 H4N 0.8743
541 EUG 0.8743
542 MS9 0.8743
543 4MU 0.8742
544 I6G 0.8742
545 OXZ 0.8741
546 6LW 0.8740
547 1X7 0.8740
548 LZM 0.8738
549 GSY 0.8737
550 3GQ 0.8737
551 GZ8 0.8737
552 RHU 0.8736
553 NPY 0.8735
554 DNC 0.8734
555 GDE 0.8734
556 NGW 0.8734
557 JTH 0.8733
558 F12 0.8731
559 FB1 0.8731
560 QAS 0.8730
561 O2A 0.8729
562 MWP 0.8728
563 JZ3 0.8727
564 QUZ 0.8725
565 1U1 0.8724
566 IDM 0.8723
567 8GC 0.8723
568 AJV 0.8720
569 OTW 0.8717
570 MR1 0.8717
571 42A 0.8714
572 GXY 0.8713
573 K37 0.8713
574 EKZ 0.8711
575 ZXD 0.8710
576 270 0.8710
577 XX3 0.8708
578 J9Q 0.8707
579 KBB 0.8706
580 E7Z 0.8705
581 RIB 0.8704
582 2FQ 0.8703
583 GMN 0.8703
584 FLM 0.8703
585 PYG 0.8703
586 FFP 0.8703
587 AIN 0.8703
588 3FA 0.8703
589 FSW 0.8701
590 6M9 0.8699
591 DBX 0.8699
592 JZ9 0.8699
593 GLY PRO 0.8698
594 FPK 0.8697
595 DNA 0.8696
596 SX1 0.8695
597 2C9 0.8694
598 ARW 0.8694
599 ENL 0.8692
600 JAE 0.8692
601 0RW 0.8692
602 F0J 0.8690
603 3SK 0.8690
604 M3S 0.8688
605 3OC 0.8687
606 DFU 0.8687
607 K3Q 0.8687
608 286 0.8685
609 4P0 0.8685
610 M2K 0.8683
611 3RI 0.8682
612 JU2 0.8681
613 KGK 0.8681
614 2CQ 0.8681
615 KOJ 0.8679
616 4V6 0.8679
617 3DO 0.8678
618 1P7 0.8678
619 AX7 0.8678
620 GCO 0.8677
621 EYK 0.8677
622 7ME 0.8677
623 7MH 0.8675
624 ET2 0.8674
625 MBD 0.8673
626 PDC 0.8673
627 8NY 0.8671
628 2MY 0.8671
629 NK 0.8669
630 5XC 0.8669
631 3AB 0.8669
632 6KX 0.8668
633 20J 0.8667
634 2XX 0.8666
635 VGD 0.8666
636 C2Y 0.8666
637 24B 0.8665
638 BK9 0.8664
639 2AK 0.8658
640 28N 0.8658
641 3MC 0.8657
642 VOH 0.8655
643 1DW 0.8655
644 5B1 0.8650
645 9FQ 0.8649
646 5NS 0.8647
647 TLA 0.8646
648 3CE 0.8645
649 0CT 0.8644
650 JXZ 0.8643
651 L7T 0.8641
652 36R 0.8640
653 SFU 0.8639
654 86J 0.8639
655 BCU 0.8638
656 BZI 0.8636
657 0RN 0.8632
658 4AN 0.8630
659 B5D 0.8623
660 150 0.8621
661 SOR 0.8620
662 HKD 0.8620
663 4TU 0.8617
664 MPI 0.8616
665 AW5 0.8614
666 92K 0.8613
667 IND 0.8612
668 3MH 0.8612
669 60P 0.8610
670 MHK 0.8606
671 2HQ 0.8605
672 0R1 0.8603
673 CLW 0.8602
674 DNF 0.8602
675 OHP 0.8602
676 3Z7 0.8600
677 FDR 0.8598
678 LZ1 0.8596
679 LDR 0.8594
680 0TR 0.8592
681 PEY 0.8585
682 4Z4 0.8584
683 261 0.8580
684 BZF 0.8579
685 7WR 0.8579
686 JYB 0.8575
687 3R9 0.8572
688 P3K 0.8572
689 GV9 0.8570
690 8ZE 0.8568
691 GVH 0.8566
692 D1X 0.8563
693 Z6J 0.8562
694 45C 0.8561
695 XQK 0.8560
696 DEN 0.8556
697 NDG 0.8555
698 5NE 0.8545
699 5HN 0.8540
700 GNL 0.8539
701 IBM 0.8537
702 MXX 0.8530
703 FBB 0.8505
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MWK; Ligand: RAM 8OQ GAL 8PK ARA RAM; 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: 5mwk.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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