Receptor
PDB id Resolution Class Description Source Keywords
4j0j 2 Å EC: 7.-.-.- TANNIN ACYL HYDROLASE IN COMPLEX WITH ETHYL 3,5-DIHYDROXYBEN LACTOBACILLUS PLANTARUM TANNIN HYDROLASE HYDROLYSIS
Ref.: CRYSTAL STRUCTURE OF TANNASE FROM LACTOBACILLUS PLA J.MOL.BIOL. 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
E35 B:501;
A:501;
 Valid;
Valid;
 none;
none;
 submit data
182.173 C9 H10 O4 CCOC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JUI 1.7 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF TANNASE FROM FROM LACTOBACILLUS PLANTAR LACTOBACILLUS PLANTARUM GALLATE HYDROLASE HYDROLYSIS TANNINS
Ref.: CRYSTAL STRUCTURE OF TANNASE FROM LACTOBACILLUS PLA J.MOL.BIOL. 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4J0H - GDE C7 H6 O5 c1c(cc(c(c....
2 4J0K - EGR C9 H10 O5 CCOC(=O)c1....
3 4J0I - DHB C7 H6 O4 c1cc(c(cc1....
4 4JUI - EGR C9 H10 O5 CCOC(=O)c1....
5 4J0J - E35 C9 H10 O4 CCOC(=O)c1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 4J0H - GDE C7 H6 O5 c1c(cc(c(c....
2 4J0K - EGR C9 H10 O5 CCOC(=O)c1....
3 4J0I - DHB C7 H6 O4 c1cc(c(cc1....
4 4JUI - EGR C9 H10 O5 CCOC(=O)c1....
5 4J0J - E35 C9 H10 O4 CCOC(=O)c1....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 4J0H - GDE C7 H6 O5 c1c(cc(c(c....
2 4J0K - EGR C9 H10 O5 CCOC(=O)c1....
3 4J0I - DHB C7 H6 O4 c1cc(c(cc1....
4 4JUI - EGR C9 H10 O5 CCOC(=O)c1....
5 4J0J - E35 C9 H10 O4 CCOC(=O)c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: E35; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 E35 1 1
2 EGR 0.564103 0.862069
3 34D 0.416667 0.76
Similar Ligands (3D)
Ligand no: 1; Ligand: E35; Similar ligands found: 692
No: Ligand Similarity coefficient
1 ZZ2 0.9576
2 6Q3 0.9551
3 BZE 0.9505
4 AX3 0.9484
5 069 0.9477
6 J9T 0.9474
7 EV0 0.9469
8 C9E 0.9443
9 XQI 0.9441
10 X0W 0.9384
11 B2J 0.9371
12 JXZ 0.9341
13 ORO 0.9333
14 H4E 0.9327
15 ZZZ 0.9304
16 F2W 0.9304
17 45L 0.9301
18 D1X 0.9299
19 A29 0.9287
20 EOL 0.9282
21 H7Y 0.9277
22 L22 0.9276
23 JXW 0.9276
24 M1Z 0.9275
25 4ME 0.9269
26 LNR 0.9254
27 VXX 0.9252
28 7MU 0.9249
29 RJY 0.9248
30 XDE 0.9248
31 JND 0.9247
32 BPU 0.9247
33 ESI 0.9243
34 O2A 0.9241
35 0W1 0.9228
36 PH2 0.9227
37 55D 0.9226
38 MJ2 0.9224
39 AEH 0.9222
40 R9Y 0.9215
41 DI6 0.9211
42 HJH 0.9202
43 L99 0.9201
44 2AL 0.9193
45 2EC 0.9193
46 J6W 0.9191
47 R2P 0.9188
48 URC 0.9188
49 KTW 0.9181
50 8WT 0.9179
51 6ME 0.9177
52 8TX 0.9176
53 DOR 0.9175
54 4V2 0.9175
55 6TZ 0.9171
56 SAF 0.9170
57 E7S 0.9170
58 8NX 0.9169
59 EDR 0.9167
60 R20 0.9163
61 8W9 0.9162
62 L5V 0.9161
63 B55 0.9160
64 AS3 0.9160
65 3Z8 0.9160
66 SQV 0.9160
67 ALE 0.9159
68 SG2 0.9159
69 AW5 0.9157
70 HPT 0.9155
71 GOE 0.9153
72 B4O 0.9153
73 KT7 0.9151
74 GZL 0.9150
75 AY4 0.9149
76 8IG 0.9148
77 6HO 0.9146
78 MNN 0.9146
79 A13 0.9144
80 FBU 0.9144
81 KTA 0.9140
82 HQJ 0.9137
83 DQU 0.9137
84 X11 0.9136
85 JG8 0.9134
86 KUF 0.9133
87 I1E 0.9128
88 QX4 0.9126
89 B62 0.9125
90 DHK 0.9124
91 ASC 0.9122
92 VOH 0.9119
93 44V 0.9112
94 SRO 0.9111
95 9KH 0.9111
96 6L6 0.9111
97 JXN 0.9108
98 QUS 0.9108
99 OXC 0.9104
100 LT2 0.9098
101 MUA 0.9097
102 XDK 0.9088
103 TWO 0.9088
104 0FO 0.9088
105 APS 0.9087
106 MXN 0.9087
107 GXY 0.9084
108 8ZE 0.9084
109 2K8 0.9083
110 BPY 0.9081
111 ARP 0.9080
112 1A7 0.9079
113 IJZ 0.9078
114 NIZ 0.9074
115 ISZ 0.9073
116 N8Y 0.9070
117 CK1 0.9068
118 VNL 0.9067
119 BHO 0.9065
120 CK2 0.9064
121 DHC 0.9062
122 FOT 0.9061
123 ZME 0.9061
124 BNL 0.9058
125 DIN 0.9057
126 0XT 0.9054
127 0FK 0.9054
128 61M 0.9051
129 LDP 0.9050
130 MRW 0.9050
131 1QP 0.9049
132 S8D 0.9045
133 EXD 0.9043
134 UFO 0.9042
135 3C4 0.9039
136 3R6 0.9038
137 4HM 0.9036
138 4CS 0.9035
139 BNF 0.9035
140 HA5 0.9033
141 RZH 0.9032
142 MXD 0.9030
143 CFI 0.9030
144 7MX 0.9029
145 1DJ 0.9027
146 JR2 0.9027
147 264 0.9022
148 GDE 0.9021
149 6OT 0.9019
150 E7R 0.9016
151 QBK 0.9016
152 DHY 0.9015
153 44W 0.9015
154 HHR 0.9015
155 2AK 0.9014
156 CWS 0.9014
157 JYB 0.9012
158 X8Z 0.9008
159 CH9 0.9008
160 M1Q 0.9008
161 14W 0.9007
162 UFV 0.9005
163 57O 0.9005
164 3NT 0.9003
165 P7Y 0.8999
166 MO8 0.8998
167 N2I 0.8997
168 QSH 0.8995
169 4MU 0.8991
170 YTX 0.8989
171 GAB 0.8989
172 ONZ 0.8989
173 F12 0.8988
174 FEH 0.8988
175 4XV 0.8988
176 263 0.8985
177 GJZ 0.8982
178 S2P 0.8978
179 TAG 0.8977
180 PRZ 0.8977
181 4A5 0.8976
182 R9G 0.8976
183 B21 0.8976
184 XAZ 0.8974
185 75K 0.8973
186 Q71 0.8973
187 9R5 0.8973
188 6J9 0.8972
189 LYL 0.8971
190 JFJ 0.8970
191 OTW 0.8968
192 53C 0.8967
193 8OZ 0.8966
194 4JQ 0.8964
195 FGZ 0.8962
196 20J 0.8960
197 FBM 0.8959
198 5WU 0.8957
199 23J 0.8956
200 GVG 0.8956
201 293 0.8955
202 AJV 0.8953
203 J9Q 0.8953
204 2FQ 0.8952
205 7WR 0.8951
206 LSQ 0.8951
207 TT4 0.8950
208 QBM 0.8950
209 92P 0.8950
210 XIY 0.8946
211 YZM 0.8944
212 2F6 0.8944
213 A7W 0.8942
214 TZM 0.8941
215 J9W 0.8941
216 5RO 0.8941
217 173 0.8941
218 MPP 0.8938
219 7ME 0.8938
220 JTH 0.8938
221 WCE 0.8937
222 0LH 0.8937
223 9MG 0.8937
224 XHP 0.8936
225 SLC 0.8936
226 PZI 0.8934
227 268 0.8933
228 8CM 0.8929
229 BTY 0.8929
230 NPA 0.8929
231 3HB 0.8928
232 2BG 0.8927
233 TOH 0.8927
234 TPA 0.8927
235 9F8 0.8925
236 0P6 0.8924
237 FBW 0.8922
238 UNC 0.8921
239 8WO 0.8920
240 SHA 0.8919
241 DBH 0.8918
242 V55 0.8918
243 0F9 0.8918
244 MVN 0.8916
245 PHE 0.8914
246 3Y7 0.8914
247 JYT 0.8913
248 0JD 0.8913
249 2LT 0.8912
250 DNF 0.8910
251 C2Y 0.8910
252 XCZ 0.8908
253 9RW 0.8908
254 DEE 0.8903
255 C2U 0.8902
256 ROI 0.8900
257 2A9 0.8900
258 GO8 0.8899
259 SHI 0.8898
260 42J 0.8894
261 KJM 0.8891
262 HKD 0.8890
263 FDR 0.8890
264 P84 0.8888
265 1L5 0.8887
266 NCT 0.8887
267 5JL 0.8886
268 HIS 0.8886
269 PPY 0.8886
270 5JQ 0.8885
271 1KP 0.8883
272 3AB 0.8883
273 ZZ3 0.8883
274 D07 0.8882
275 BCU 0.8880
276 39O 0.8880
277 ONR 0.8878
278 MQN 0.8877
279 8HC 0.8876
280 3IT 0.8874
281 2UZ 0.8873
282 HJP 0.8869
283 SYR 0.8868
284 GV9 0.8868
285 CWM 0.8866
286 3PF 0.8866
287 692 0.8865
288 5QY 0.8865
289 3HA 0.8865
290 F9P 0.8864
291 3HP 0.8863
292 GHM 0.8861
293 AJ2 0.8860
294 4Z3 0.8858
295 SKM 0.8858
296 97T 0.8857
297 TSS 0.8856
298 BDI 0.8856
299 DIU 0.8856
300 PIY 0.8856
301 4YO 0.8855
302 BGC 0.8855
303 AC2 0.8855
304 BDP 0.8854
305 Q24 0.8851
306 4HC 0.8850
307 2O6 0.8849
308 4XS 0.8849
309 E7Z 0.8849
310 M6N 0.8848
311 9FE 0.8848
312 9UL 0.8847
313 FUD 0.8847
314 1P7 0.8847
315 PO6 0.8846
316 D8Q 0.8844
317 DHB 0.8842
318 6DP 0.8842
319 52C 0.8841
320 M5K 0.8841
321 APZ 0.8840
322 PIM 0.8840
323 KFH 0.8837
324 RMN 0.8837
325 86J 0.8836
326 M02 0.8834
327 S76 0.8834
328 42C 0.8834
329 NYL 0.8834
330 K5W 0.8834
331 CLZ 0.8833
332 AQO 0.8832
333 M4E 0.8831
334 GRO 0.8830
335 P9P 0.8829
336 2LY 0.8828
337 51R 0.8826
338 BRT 0.8825
339 OVV 0.8823
340 F31 0.8823
341 TGX 0.8822
342 JRB 0.8822
343 0W8 0.8822
344 EYV 0.8821
345 DX3 0.8819
346 3OC 0.8819
347 MCO 0.8819
348 FK8 0.8818
349 2KU 0.8818
350 Q08 0.8817
351 PE0 0.8816
352 6FZ 0.8815
353 AMQ 0.8812
354 K3Y 0.8811
355 5HN 0.8810
356 K3Q 0.8810
357 INO 0.8809
358 12T 0.8807
359 KYA 0.8807
360 NAG 0.8807
361 Q88 0.8807
362 MAQ 0.8805
363 2A7 0.8803
364 L21 0.8802
365 0TU 0.8801
366 BQ5 0.8801
367 QPR 0.8800
368 2D0 0.8800
369 92K 0.8799
370 1XA 0.8798
371 4VY 0.8797
372 4SX 0.8797
373 2HQ 0.8796
374 G6P 0.8795
375 HQD 0.8792
376 MEW 0.8792
377 4NC 0.8791
378 93K 0.8791
379 SER PRO 0.8791
380 A09 0.8790
381 RUY 0.8790
382 EKZ 0.8789
383 F0J 0.8788
384 B5D 0.8787
385 7CT 0.8787
386 OSB 0.8786
387 GTR 0.8786
388 NVU 0.8786
389 B60 0.8785
390 FA3 0.8784
391 64C 0.8784
392 N3W 0.8783
393 2HC 0.8782
394 CXP 0.8780
395 DRL 0.8779
396 Q6T 0.8779
397 G3E 0.8778
398 3BZ 0.8777
399 F69 0.8775
400 NMJ 0.8773
401 X0V 0.8772
402 IAC 0.8770
403 8XL 0.8770
404 J5I 0.8769
405 SXS 0.8769
406 SMN 0.8769
407 36M 0.8769
408 TSR 0.8768
409 CFA 0.8768
410 5GU 0.8766
411 JF2 0.8766
412 9TW 0.8766
413 5NE 0.8766
414 HDH 0.8766
415 GLY PRO 0.8765
416 64E 0.8764
417 OKM 0.8764
418 3MB 0.8762
419 G3F 0.8761
420 4M4 0.8760
421 IPT 0.8760
422 JXK 0.8759
423 ES5 0.8758
424 XQ0 0.8758
425 W8G 0.8758
426 E1P 0.8758
427 2HO 0.8757
428 MMS 0.8757
429 4Z4 0.8755
430 N2Z 0.8754
431 AOS 0.8754
432 4FS 0.8754
433 HLD 0.8753
434 FBB 0.8752
435 OTR 0.8751
436 428 0.8750
437 56D 0.8750
438 BEA 0.8750
439 ALA PRO 0.8750
440 4XY 0.8750
441 0N7 0.8749
442 8GC 0.8747
443 JF6 0.8747
444 D48 0.8746
445 AZ9 0.8746
446 AZ8 0.8745
447 3F0 0.8745
448 ES0 0.8744
449 15L 0.8744
450 KBG 0.8744
451 DA4 0.8743
452 2AQ 0.8743
453 258 0.8742
454 A9O 0.8741
455 I3A 0.8741
456 DPN 0.8741
457 GCU 0.8739
458 XFE 0.8738
459 OCH 0.8738
460 0FR 0.8738
461 GOJ 0.8738
462 78U 0.8737
463 8U3 0.8737
464 GZ8 0.8736
465 NDG 0.8733
466 INE 0.8733
467 ADZ 0.8733
468 ICO 0.8733
469 CCV 0.8732
470 9ZE 0.8732
471 CHB 0.8731
472 PQ0 0.8730
473 DE5 0.8730
474 5B1 0.8729
475 IFP 0.8726
476 MR1 0.8726
477 HF2 0.8726
478 IHB 0.8724
479 5NI 0.8723
480 GLC 0.8722
481 I6G 0.8722
482 AKH 0.8721
483 SYA 0.8721
484 PBN 0.8720
485 KBB 0.8719
486 03V 0.8719
487 QAT 0.8717
488 6NT 0.8716
489 MYJ 0.8716
490 PRF 0.8716
491 Z5P 0.8715
492 9BF 0.8714
493 0HN 0.8714
494 7B4 0.8712
495 0GZ 0.8712
496 QH3 0.8712
497 NZ9 0.8711
498 QSB 0.8711
499 H35 0.8710
500 4FH 0.8710
501 JYW 0.8709
502 GM7 0.8709
503 BZ3 0.8708
504 AJY 0.8708
505 M1H 0.8708
506 OA1 0.8705
507 MWP 0.8704
508 5JT 0.8702
509 NNO 0.8702
510 DQA 0.8701
511 7NI 0.8701
512 FHB 0.8700
513 EVA 0.8698
514 COU 0.8697
515 HSO 0.8697
516 EUG 0.8697
517 GJS 0.8697
518 A9P 0.8694
519 KW8 0.8693
520 DIR 0.8691
521 OA3 0.8691
522 HHA 0.8690
523 OTD 0.8690
524 GCB 0.8689
525 SDD 0.8689
526 PBA 0.8688
527 Q02 0.8687
528 RM1 0.8686
529 OVM 0.8686
530 4P5 0.8686
531 SE2 0.8685
532 DNC 0.8684
533 1WC 0.8684
534 4A1 0.8684
535 3M0 0.8684
536 GTQ 0.8680
537 7VS 0.8679
538 1Z8 0.8679
539 6VD 0.8679
540 M0Q 0.8679
541 FE DB1 0.8678
542 JLZ 0.8677
543 2V0 0.8677
544 SVD 0.8676
545 289 0.8676
546 1F1 0.8676
547 PDC 0.8675
548 KDG 0.8675
549 IBM 0.8675
550 4A3 0.8673
551 SQ7 0.8671
552 2ZM 0.8669
553 QY9 0.8668
554 YPN 0.8668
555 1LQ 0.8668
556 APG 0.8666
557 BK9 0.8666
558 IOP 0.8665
559 FA1 0.8665
560 5OF 0.8664
561 1BN 0.8664
562 HSX 0.8664
563 FTV 0.8663
564 Q77 0.8661
565 4VS 0.8660
566 XEN 0.8659
567 1SQ 0.8659
568 F06 0.8658
569 ADA 0.8657
570 QAS 0.8657
571 3HM 0.8655
572 GSY 0.8655
573 3ID 0.8655
574 3N1 0.8654
575 GCS 0.8654
576 5OB 0.8653
577 Q7A 0.8652
578 4R1 0.8652
579 SBK 0.8650
580 XX2 0.8649
581 F5C 0.8647
582 091 0.8646
583 H42 0.8646
584 BG6 0.8646
585 2FY 0.8645
586 CN0 0.8645
587 OW4 0.8644
588 DNA 0.8642
589 ABI 0.8642
590 5RN 0.8641
591 EYK 0.8640
592 NFA 0.8640
593 CR1 0.8639
594 EEL 0.8638
595 GRX 0.8637
596 5WV 0.8636
597 1ZC 0.8636
598 SWA 0.8634
599 JKZ 0.8634
600 YQA 0.8632
601 8XQ 0.8631
602 OIA 0.8631
603 BRH 0.8630
604 WOE 0.8630
605 DBX 0.8629
606 KIB 0.8628
607 SJ5 0.8627
608 3FH 0.8624
609 HLZ 0.8623
610 UAN 0.8623
611 IV2 0.8622
612 R8V 0.8622
613 O45 0.8621
614 FA0 0.8619
615 DBJ 0.8618
616 9DG 0.8616
617 GAL 0.8616
618 54G 0.8616
619 ALL 0.8614
620 XAN 0.8614
621 7B3 0.8611
622 F52 0.8611
623 6M4 0.8611
624 D2G 0.8610
625 HNQ 0.8610
626 5RG 0.8609
627 BHA 0.8609
628 4JT 0.8607
629 GDL 0.8605
630 TIH 0.8602
631 KGK 0.8600
632 3N4 0.8599
633 0BP 0.8599
634 LZ2 0.8598
635 NID 0.8597
636 6R8 0.8597
637 TOF 0.8595
638 H5B 0.8595
639 2PG 0.8595
640 5NS 0.8594
641 HIC 0.8593
642 HBI 0.8591
643 AZA 0.8590
644 GUN 0.8590
645 ODO 0.8590
646 28N 0.8589
647 M0W 0.8586
648 5M0 0.8584
649 3IL 0.8583
650 GYE 0.8583
651 3CR 0.8582
652 H2B 0.8582
653 II6 0.8581
654 DHI 0.8578
655 1X7 0.8576
656 3YP 0.8574
657 NLA 0.8571
658 CFF 0.8569
659 O2Y 0.8568
660 3EB 0.8567
661 NBG 0.8566
662 OVP 0.8566
663 24W 0.8563
664 DMD 0.8563
665 AIN 0.8563
666 BEN 0.8562
667 9RH 0.8562
668 1U6 0.8561
669 NCA 0.8561
670 BEZ 0.8561
671 HY1 0.8560
672 FB2 0.8560
673 NDM 0.8560
674 MAJ 0.8557
675 1P3 0.8556
676 ZON 0.8555
677 XM0 0.8555
678 5MK 0.8554
679 XXG 0.8552
680 61O 0.8550
681 SOR 0.8548
682 5WY 0.8546
683 MUR 0.8546
684 CIT 0.8541
685 KKN 0.8540
686 TTL 0.8537
687 54F 0.8533
688 8WZ 0.8527
689 KYN 0.8526
690 3RI 0.8524
691 ACE PHE 0.8520
692 7ZC 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JUI; Ligand: EGR; 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: 4jui.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4JUI; Ligand: EGR; 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: 4jui.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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