Receptor
PDB id Resolution Class Description Source Keywords
3H78 1.7 Å EC: 2.3.1.180 CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PQSD C112A MUTANT IN COMPLEX WITH ANTHRANILIC ACID PSEUDOMONAS AERUGINOSA PAO1 PQSD PQS ANTHRANILIC ACID ANTHRANILOYL-COA TRANSFERASE
Ref.: STRUCTURE OF PQSD, A PSEUDOMONAS QUINOLONE SIGNAL BIOSYNTHETIC ENZYME, IN COMPLEX WITH ANTHRANILATE. BIOCHEMISTRY V. 48 8644 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BE2 A:350;
B:350;
B:351;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
137.136 C7 H7 N O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3H78 1.7 Å EC: 2.3.1.180 CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PQSD C112A MUTANT IN COMPLEX WITH ANTHRANILIC ACID PSEUDOMONAS AERUGINOSA PAO1 PQSD PQS ANTHRANILIC ACID ANTHRANILOYL-COA TRANSFERASE
Ref.: STRUCTURE OF PQSD, A PSEUDOMONAS QUINOLONE SIGNAL BIOSYNTHETIC ENZYME, IN COMPLEX WITH ANTHRANILATE. BIOCHEMISTRY V. 48 8644 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3H77 - COW C28 H41 N8 O17 P3 S CC(C)(CO[P....
2 3H78 - BE2 C7 H7 N O2 c1ccc(c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3H77 - COW C28 H41 N8 O17 P3 S CC(C)(CO[P....
2 3H78 - BE2 C7 H7 N O2 c1ccc(c(c1....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5BQS ic50 = 2.3 uM 4VN C18 H19 Cl N2 O3 c1cc(c(cc1....
2 3H77 - COW C28 H41 N8 O17 P3 S CC(C)(CO[P....
3 3H78 - BE2 C7 H7 N O2 c1ccc(c(c1....
4 1HND - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 5BNM ic50 = 15 uM 4VK C20 H19 N O3 S c1ccc(cc1)....
6 1MZS ic50 = 7 uM 669 C22 H21 Cl2 N O5 c1cc(c(c(c....
7 1HNH - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 2EFT - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
9 2GYO - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
10 5BNR ic50 = 0.53 uM 4VL C18 H19 F N2 O3 c1cc(c(cc1....
11 1HNJ - MLC C24 H38 N7 O19 P3 S CC(C)(CO[P....
12 4Z8D ic50 = 6 uM 4LB C16 H20 Cl N O4 c1ccc(c(c1....
13 5BNS ic50 = 0.095 uM 4VM C28 H27 F N4 O2 c1cc2cc(cc....
14 3IL6 ic50 = 0.27 uM B83 C27 H28 N2 O4 C[C@@H]1C[....
15 1HZP - DAO C12 H24 O2 CCCCCCCCCC....
16 1U6S - DCC C33 H58 N7 O17 P3 S CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BE2; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 BE2 1 1
2 92K 0.612903 0.785714
3 VNJ 0.586207 0.68
4 61M 0.542857 0.709677
5 KLW 0.516129 0.642857
6 KYN 0.475 0.628571
7 12T 0.457143 0.884615
8 6M1 0.457143 0.958333
9 6F0 0.457143 0.821429
10 3HA 0.428571 0.793103
11 17C 0.416667 0.758621
12 5RG 0.416667 0.851852
13 3M0 0.416667 0.958333
14 3F0 0.416667 0.851852
15 4SV 0.416667 0.793103
16 SQP 0.414634 0.807692
17 SX1 0.405405 0.851852
18 5M0 0.405405 0.958333
19 4M0 0.405405 0.958333
20 FA0 0.405405 0.851852
Similar Ligands (3D)
Ligand no: 1; Ligand: BE2; Similar ligands found: 1390
No: Ligand Similarity coefficient
1 SAL 1.0000
2 3U4 1.0000
3 3SK 1.0000
4 ES6 1.0000
5 JKE 1.0000
6 MAN 1.0000
7 JBE 1.0000
8 1WD 0.9967
9 7WV 0.9955
10 HHA 0.9879
11 IP0 0.9875
12 SVN 0.9872
13 6PC 0.9831
14 60P 0.9829
15 GAG 0.9813
16 GYE 0.9797
17 BEZ 0.9794
18 5NU 0.9789
19 GRE 0.9788
20 NCA 0.9788
21 BEN 0.9779
22 5CU 0.9777
23 GBD 0.9772
24 BAM 0.9772
25 DBH 0.9762
26 JBK 0.9755
27 YCP 0.9751
28 25W 0.9749
29 2ZV 0.9747
30 FE DB1 0.9744
31 L3Q 0.9741
32 R8A 0.9739
33 GTQ 0.9736
34 5AC 0.9736
35 9TZ 0.9735
36 9EW 0.9735
37 NIO 0.9735
38 NK 0.9734
39 6M4 0.9734
40 DOB 0.9733
41 VGL 0.9732
42 QSC 0.9727
43 FP1 0.9726
44 6CS 0.9722
45 AHR 0.9722
46 NTN 0.9722
47 OXQ 0.9721
48 6M9 0.9721
49 JZ3 0.9719
50 UNU 0.9718
51 FBV 0.9715
52 BE7 0.9713
53 54G 0.9713
54 PZA 0.9711
55 NBZ 0.9710
56 SJ5 0.9703
57 286 0.9701
58 5MK 0.9701
59 BHA 0.9698
60 HLR 0.9697
61 F05 0.9688
62 2CK 0.9688
63 8EZ 0.9681
64 3DO 0.9678
65 SS1 0.9677
66 QUZ 0.9677
67 PBC 0.9675
68 0RW 0.9672
69 NPY 0.9666
70 RSF 0.9666
71 2LP 0.9664
72 1PT 0.9664
73 G6D 0.9663
74 KYD 0.9661
75 BTE 0.9661
76 SHA 0.9659
77 IFM 0.9657
78 AC0 0.9655
79 BNS 0.9653
80 8GC 0.9651
81 HY3 0.9644
82 SS2 0.9642
83 XYP 0.9639
84 5HN 0.9636
85 BGC 0.9635
86 ADE 0.9635
87 DEN 0.9634
88 FB1 0.9634
89 JZ9 0.9629
90 HPA 0.9629
91 3HB 0.9628
92 JZ7 0.9628
93 G2F 0.9626
94 IDM 0.9626
95 7HP 0.9623
96 GAB 0.9621
97 10L 0.9620
98 3AB 0.9618
99 1NP 0.9618
100 7HQ 0.9615
101 A2F 0.9614
102 9DG 0.9613
103 M1A 0.9613
104 GLC 0.9612
105 AZA 0.9611
106 M58 0.9610
107 141 0.9610
108 JZ1 0.9609
109 7WA 0.9608
110 5Q0 0.9608
111 FYU 0.9608
112 3NT 0.9605
113 1LQ 0.9603
114 BZX 0.9601
115 6AP 0.9601
116 1LM 0.9600
117 0R0 0.9600
118 LXC 0.9599
119 GUN 0.9598
120 IT2 0.9597
121 AZG 0.9595
122 ASO 0.9594
123 67N 0.9594
124 1SQ 0.9593
125 24W 0.9593
126 ES1 0.9592
127 NPO 0.9592
128 IND 0.9591
129 OXZ 0.9589
130 OVV 0.9589
131 5IQ 0.9589
132 5SG 0.9587
133 N5J 0.9587
134 4YS 0.9585
135 XAN 0.9583
136 23A 0.9583
137 AMC 0.9582
138 JPZ 0.9581
139 AZF 0.9580
140 I3A 0.9580
141 0R1 0.9579
142 PHB 0.9579
143 LZ1 0.9578
144 JBH 0.9578
145 HQY 0.9576
146 HMU 0.9576
147 6AI 0.9573
148 6MP 0.9573
149 NOJ 0.9572
150 IGA 0.9571
151 HIO 0.9571
152 BZI 0.9569
153 1LN 0.9568
154 4CS 0.9568
155 CFP 0.9567
156 9DA 0.9567
157 RSO 0.9565
158 EA1 0.9563
159 EQT 0.9562
160 14O 0.9561
161 5WV 0.9561
162 53C 0.9560
163 F60 0.9559
164 MPI 0.9559
165 5H1 0.9557
166 BSX 0.9556
167 BZF 0.9556
168 IPB 0.9555
169 SRT 0.9555
170 9HX 0.9555
171 G3F 0.9555
172 BHO 0.9554
173 G5V 0.9554
174 290 0.9554
175 DFB 0.9554
176 2K4 0.9551
177 BP1 0.9551
178 DHB 0.9550
179 SWD 0.9547
180 NMJ 0.9545
181 GVH 0.9543
182 7N0 0.9541
183 DX4 0.9539
184 261 0.9537
185 24B 0.9536
186 RIB 0.9532
187 WCE 0.9526
188 PAB 0.9526
189 1XM 0.9525
190 3BZ 0.9525
191 JAE 0.9524
192 YH7 0.9524
193 GIO 0.9521
194 HH8 0.9521
195 HBD 0.9521
196 0CT 0.9519
197 JZ4 0.9517
198 LCN 0.9517
199 5MB 0.9517
200 T9G 0.9517
201 ISN 0.9516
202 4XH 0.9515
203 5MI 0.9512
204 ASC 0.9509
205 6GU 0.9508
206 HMH 0.9508
207 NOY 0.9507
208 ISZ 0.9506
209 4JP 0.9504
210 8S0 0.9499
211 1Y6 0.9498
212 E7Z 0.9496
213 2DR 0.9496
214 COU 0.9492
215 4NC 0.9492
216 SYG 0.9491
217 TH7 0.9489
218 PM6 0.9489
219 KKN 0.9489
220 AC6 0.9487
221 INO 0.9486
222 ES4 0.9485
223 0TR 0.9485
224 F5B 0.9484
225 03V 0.9482
226 BRT 0.9482
227 1XN 0.9482
228 HY1 0.9481
229 PRY 0.9479
230 MRZ 0.9477
231 Q6T 0.9476
232 OAA 0.9476
233 IFL 0.9475
234 ES7 0.9475
235 ADZ 0.9472
236 XXR 0.9472
237 826 0.9471
238 TIU 0.9471
239 CFI 0.9470
240 IPZ 0.9470
241 282 0.9470
242 5RN 0.9469
243 O72 0.9468
244 XM0 0.9468
245 AX7 0.9466
246 1P3 0.9465
247 FPK 0.9463
248 CN0 0.9462
249 270 0.9462
250 MLT 0.9462
251 ABV 0.9461
252 4AA 0.9460
253 0CU 0.9460
254 B57 0.9459
255 5OB 0.9459
256 ABN 0.9459
257 HH5 0.9457
258 XYL 0.9457
259 LGC 0.9457
260 P72 0.9457
261 I1E 0.9454
262 XX2 0.9453
263 NNO 0.9452
264 BOA 0.9450
265 RM1 0.9450
266 H42 0.9450
267 FBT 0.9449
268 EDG 0.9449
269 7NI 0.9448
270 Z6J 0.9447
271 PBZ 0.9445
272 F81 0.9443
273 RAM 0.9442
274 KOJ 0.9441
275 C21 0.9441
276 7B4 0.9440
277 2AQ 0.9439
278 4MA 0.9439
279 HZP 0.9438
280 ZZT 0.9437
281 ADK 0.9437
282 3OC 0.9436
283 ES9 0.9435
284 FDB 0.9435
285 2HO 0.9434
286 3ID 0.9434
287 P9P 0.9434
288 5QX 0.9434
289 JLZ 0.9432
290 HJP 0.9431
291 11S 0.9431
292 SW7 0.9431
293 MYJ 0.9429
294 98J 0.9429
295 1AB 0.9428
296 DBJ 0.9428
297 FHB 0.9428
298 ES5 0.9427
299 4JT 0.9426
300 7W4 0.9426
301 12Q 0.9426
302 SYN 0.9425
303 42C 0.9425
304 JIF 0.9423
305 Z82 0.9422
306 32X 0.9422
307 DHQ 0.9421
308 HBX 0.9420
309 1P7 0.9420
310 FPI 0.9418
311 EXO 0.9416
312 OCH 0.9415
313 Q88 0.9414
314 265 0.9414
315 FAN 0.9413
316 4A3 0.9413
317 THE 0.9413
318 IJZ 0.9413
319 PE0 0.9410
320 R2B 0.9409
321 B53 0.9409
322 R1X 0.9409
323 4Z4 0.9408
324 3FH 0.9407
325 IMR 0.9405
326 R8V 0.9405
327 AKH 0.9404
328 KJH 0.9404
329 TTL 0.9404
330 3HM 0.9403
331 URF 0.9403
332 TH0 0.9403
333 AZ8 0.9401
334 4FS 0.9401
335 UNC 0.9400
336 3Z7 0.9400
337 7CZ 0.9400
338 93K 0.9399
339 3XX 0.9398
340 UGC 0.9395
341 FEH 0.9394
342 PY7 0.9394
343 TP5 0.9393
344 EYK 0.9392
345 12M 0.9390
346 1DW 0.9390
347 2MI 0.9390
348 1MR 0.9390
349 PCA 0.9390
350 HBA 0.9390
351 174 0.9388
352 BDP 0.9387
353 7W1 0.9387
354 495 0.9387
355 Q24 0.9385
356 ROR 0.9385
357 DYA 0.9384
358 H4N 0.9384
359 NIZ 0.9383
360 ICO 0.9382
361 NSP 0.9380
362 2CQ 0.9379
363 DMJ 0.9378
364 9MG 0.9378
365 DMD 0.9378
366 HXX 0.9378
367 P92 0.9377
368 ES0 0.9377
369 2FY 0.9376
370 FBM 0.9376
371 2D0 0.9376
372 KBG 0.9376
373 FOA 0.9376
374 PZI 0.9375
375 47J 0.9375
376 HZQ 0.9373
377 RB5 0.9371
378 4HC 0.9371
379 GCS 0.9371
380 150 0.9371
381 MNN 0.9370
382 FUL 0.9370
383 39A 0.9370
384 HQT 0.9370
385 MCT 0.9370
386 TZE 0.9369
387 FK1 0.9369
388 PRO 0.9369
389 M1E 0.9366
390 DBX 0.9364
391 R9S 0.9364
392 TAR 0.9363
393 MT0 0.9363
394 3PF 0.9363
395 MZB 0.9362
396 XYS 0.9361
397 1DJ 0.9360
398 DS0 0.9360
399 C2U 0.9360
400 CTS 0.9360
401 PBE 0.9359
402 PYF 0.9359
403 AQO 0.9359
404 LZM 0.9356
405 MS9 0.9355
406 WBU 0.9354
407 M5K 0.9354
408 OXC 0.9354
409 SVD 0.9353
410 M6N 0.9353
411 9TW 0.9353
412 CTL 0.9352
413 M2K 0.9352
414 HLZ 0.9351
415 F9P 0.9350
416 XQ0 0.9350
417 2PC 0.9350
418 CHB 0.9350
419 MXN 0.9349
420 4RW 0.9349
421 SMV 0.9347
422 NBE 0.9346
423 CWM 0.9346
424 2H5 0.9346
425 NEQ 0.9345
426 J9Q 0.9345
427 MEW 0.9344
428 8H8 0.9344
429 MWM 0.9344
430 ISE 0.9344
431 1WG 0.9343
432 3MA 0.9343
433 DHK 0.9342
434 NDH 0.9342
435 3WA 0.9341
436 3IT 0.9340
437 9CL 0.9340
438 XLS 0.9340
439 7VS 0.9340
440 K5W 0.9338
441 KBB 0.9338
442 GAL 0.9338
443 8NY 0.9338
444 42A 0.9337
445 PXL 0.9337
446 0P6 0.9336
447 FOT 0.9335
448 GIF 0.9334
449 5B1 0.9334
450 M0W 0.9330
451 PYC 0.9329
452 275 0.9328
453 J9W 0.9327
454 PRS 0.9325
455 ORO 0.9325
456 P3K 0.9324
457 HYP 0.9324
458 JBQ 0.9320
459 GZL 0.9320
460 4ZE 0.9319
461 O7U 0.9319
462 TDR 0.9318
463 LYL 0.9318
464 1MC 0.9317
465 FUB 0.9316
466 TLA 0.9315
467 4HO 0.9314
468 DOR 0.9314
469 AJ2 0.9314
470 PYG 0.9314
471 QSB 0.9313
472 J1Z 0.9312
473 4VP 0.9309
474 7MH 0.9309
475 ODO 0.9309
476 INS 0.9307
477 LMR 0.9306
478 LT2 0.9306
479 MRY 0.9306
480 BZ3 0.9305
481 ALO 0.9305
482 MBD 0.9305
483 2AC 0.9304
484 UY7 0.9304
485 CWS 0.9304
486 97T 0.9304
487 RHU 0.9303
488 ALL 0.9303
489 FPY 0.9303
490 NTM 0.9303
491 4XR 0.9302
492 329 0.9301
493 3Z8 0.9301
494 273 0.9301
495 M1Q 0.9301
496 BCP 0.9300
497 FB2 0.9299
498 8CM 0.9297
499 A1U 0.9296
500 GOO 0.9296
501 M1H 0.9293
502 APY 0.9293
503 KJY 0.9292
504 GCU 0.9292
505 40E 0.9291
506 DIU 0.9290
507 2XX 0.9288
508 PRZ 0.9288
509 JBN 0.9288
510 280 0.9287
511 2MP 0.9286
512 82I 0.9286
513 SWA 0.9286
514 5QY 0.9283
515 51F 0.9283
516 XCZ 0.9281
517 XYD 0.9280
518 BTY 0.9280
519 34A 0.9279
520 0MK 0.9279
521 RM4 0.9279
522 4ZC 0.9278
523 X05 0.9277
524 XBZ 0.9275
525 ARB 0.9275
526 AGK 0.9274
527 ICP 0.9272
528 PYD 0.9272
529 NQ 0.9272
530 X09 0.9272
531 A7W 0.9272
532 LSA 0.9271
533 FQI 0.9270
534 FCA 0.9270
535 284 0.9269
536 XQG 0.9268
537 AFR 0.9266
538 4NG 0.9265
539 MAK 0.9265
540 PYJ 0.9264
541 HDH 0.9264
542 5XC 0.9264
543 TZC 0.9264
544 PMB 0.9263
545 51R 0.9263
546 J9T 0.9263
547 64K 0.9263
548 5WX 0.9262
549 ASN 0.9261
550 COI 0.9261
551 KUF 0.9259
552 SKA 0.9259
553 34D 0.9256
554 3ZQ 0.9255
555 MNM 0.9253
556 RNS 0.9252
557 2A7 0.9252
558 MRW 0.9251
559 2YU 0.9251
560 CXF 0.9250
561 ASP 0.9249
562 WOO 0.9249
563 3RK 0.9247
564 URA 0.9247
565 173 0.9247
566 FCB 0.9246
567 JB5 0.9245
568 KIV 0.9245
569 VNL 0.9244
570 GMN 0.9244
571 FLM 0.9243
572 5UC 0.9242
573 RXA 0.9242
574 5JC 0.9242
575 TPA 0.9241
576 75K 0.9240
577 3FA 0.9239
578 HT4 0.9238
579 VK3 0.9237
580 IHB 0.9237
581 278 0.9236
582 PAF 0.9236
583 2RH 0.9236
584 2AL 0.9236
585 B24 0.9235
586 DIN 0.9235
587 MWP 0.9234
588 40O 0.9234
589 AW5 0.9234
590 4CL 0.9232
591 URQ 0.9232
592 OK7 0.9232
593 GDE 0.9230
594 AZ9 0.9230
595 15L 0.9229
596 R8S 0.9229
597 NXA 0.9228
598 URC 0.9227
599 RCO 0.9227
600 2TQ 0.9226
601 KP6 0.9225
602 D1X 0.9224
603 ZXD 0.9224
604 PYQ 0.9224
605 ET2 0.9223
606 OHP 0.9222
607 URP 0.9222
608 23J 0.9221
609 M2H 0.9221
610 4JJ 0.9220
611 Z5P 0.9220
612 OVM 0.9219
613 TEP 0.9218
614 PHT 0.9217
615 FBW 0.9217
616 JFD 0.9217
617 SOE 0.9217
618 ILE 0.9216
619 CRS 0.9216
620 PEL 0.9215
621 3MC 0.9215
622 2MN 0.9215
623 RMN 0.9214
624 8OZ 0.9214
625 0W8 0.9212
626 JUG 0.9212
627 3MB 0.9211
628 7ZE 0.9210
629 G1O 0.9209
630 54D 0.9208
631 5MH 0.9208
632 TEO 0.9207
633 5JQ 0.9207
634 G3E 0.9205
635 RNT 0.9204
636 JZ2 0.9204
637 45C 0.9204
638 3CH 0.9203
639 RIP 0.9202
640 JZ5 0.9202
641 C2A 0.9202
642 D48 0.9200
643 UEG 0.9199
644 94B 0.9199
645 CRN 0.9197
646 069 0.9195
647 CYT 0.9195
648 2C9 0.9194
649 14J 0.9194
650 THR 0.9193
651 PHU 0.9193
652 43M 0.9193
653 7MU 0.9192
654 HX3 0.9192
655 XAZ 0.9191
656 37T 0.9191
657 G4D 0.9190
658 B55 0.9190
659 HSE 0.9190
660 FBA 0.9189
661 T6C 0.9189
662 36R 0.9189
663 QWN 0.9189
664 260 0.9187
665 IV2 0.9187
666 2ZQ 0.9187
667 LG3 0.9187
668 MZG 0.9186
669 DFU 0.9185
670 FFP 0.9185
671 LRH 0.9184
672 TM7 0.9184
673 TC7 0.9184
674 2MY 0.9182
675 VAL 0.9181
676 WOT 0.9180
677 M4T 0.9178
678 4ME 0.9177
679 4JU 0.9177
680 DGJ 0.9176
681 4P5 0.9175
682 ES2 0.9175
683 SE2 0.9175
684 2EC 0.9174
685 PAC 0.9174
686 6MH 0.9174
687 CLW 0.9174
688 HQD 0.9174
689 BVF 0.9174
690 H76 0.9173
691 F4Z 0.9173
692 27Y 0.9172
693 SKM 0.9172
694 3CE 0.9171
695 1P8 0.9171
696 QDK 0.9170
697 MR1 0.9170
698 45L 0.9170
699 MT5 0.9170
700 SHG 0.9169
701 EHM 0.9169
702 1DU 0.9169
703 PLQ 0.9169
704 XUL 0.9168
705 FUF 0.9168
706 26D 0.9168
707 GCB 0.9167
708 FUC 0.9167
709 6LW 0.9167
710 BR8 0.9167
711 PXM 0.9166
712 MFB 0.9166
713 5WY 0.9164
714 ARA 0.9164
715 271 0.9164
716 IFP 0.9163
717 S76 0.9163
718 CAQ 0.9163
719 JFJ 0.9162
720 DRL 0.9162
721 HTS 0.9161
722 XBT 0.9161
723 MO8 0.9160
724 QPR 0.9159
725 SYV 0.9159
726 PA1 0.9158
727 DIE 0.9158
728 9TY 0.9158
729 QY9 0.9157
730 8TX 0.9157
731 86J 0.9157
732 2MH 0.9157
733 BMA 0.9156
734 948 0.9156
735 LG5 0.9155
736 3SL 0.9153
737 GLA 0.9153
738 JAB 0.9153
739 VGD 0.9153
740 2CM 0.9153
741 3MH 0.9152
742 2PG 0.9152
743 XSP 0.9152
744 PEA 0.9151
745 MSN 0.9151
746 BEW 0.9150
747 IF7 0.9150
748 8IG 0.9150
749 DUB 0.9150
750 FCR 0.9149
751 ICF 0.9149
752 LDU 0.9148
753 QXW 0.9147
754 2CH 0.9146
755 3DM 0.9146
756 4P0 0.9146
757 LNR 0.9144
758 52C 0.9144
759 TTY 0.9144
760 GOG 0.9142
761 BDF 0.9141
762 4JM 0.9141
763 BEA 0.9141
764 293 0.9140
765 F0J 0.9140
766 3MG 0.9140
767 M0Q 0.9139
768 3R6 0.9138
769 13X 0.9137
770 4HM 0.9136
771 SD4 0.9134
772 NID 0.9133
773 RBL 0.9132
774 KT7 0.9132
775 J5I 0.9132
776 F12 0.9131
777 I1N 0.9131
778 BR9 0.9129
779 OTR 0.9129
780 FH2 0.9129
781 RPQ 0.9129
782 AL0 0.9128
783 L99 0.9128
784 MWJ 0.9127
785 ECE 0.9127
786 SMN 0.9125
787 149 0.9125
788 GJZ 0.9124
789 2HQ 0.9124
790 4JL 0.9123
791 RUU 0.9123
792 9X7 0.9122
793 IDH 0.9122
794 3NY 0.9122
795 JYD 0.9121
796 TFB 0.9121
797 PEQ 0.9120
798 1AN 0.9119
799 GLF 0.9118
800 0V5 0.9118
801 EKZ 0.9118
802 0N7 0.9116
803 T2C 0.9116
804 5AN 0.9116
805 JZ0 0.9115
806 KJU 0.9115
807 ITN 0.9114
808 OXE 0.9114
809 6JN 0.9113
810 6KX 0.9113
811 2FG 0.9113
812 DUC 0.9113
813 5VM 0.9111
814 OW4 0.9111
815 0HO 0.9111
816 5RO 0.9111
817 HQE 0.9111
818 FDK 0.9110
819 93Q 0.9108
820 0JD 0.9108
821 SRO 0.9108
822 YSO 0.9108
823 938 0.9107
824 1GN 0.9107
825 GTR 0.9107
826 717 0.9106
827 3AL 0.9105
828 TZL 0.9105
829 ZBT 0.9105
830 EVA 0.9103
831 N2Z 0.9103
832 TLD 0.9101
833 DAS 0.9100
834 8EW 0.9098
835 FBB 0.9098
836 6UA 0.9098
837 92Z 0.9098
838 DHS 0.9097
839 HPY 0.9097
840 680 0.9097
841 HFB 0.9097
842 4JO 0.9096
843 5CL 0.9096
844 FBJ 0.9095
845 TSS 0.9095
846 B60 0.9095
847 ZZ3 0.9093
848 JA8 0.9093
849 9RW 0.9091
850 AAS 0.9091
851 2LY 0.9091
852 TSU 0.9090
853 GAF 0.9090
854 5GU 0.9090
855 PEP 0.9089
856 QBK 0.9089
857 QOS 0.9088
858 ICC 0.9088
859 FPN 0.9088
860 FLA 0.9088
861 5JL 0.9087
862 AX2 0.9087
863 K2T 0.9086
864 35C 0.9086
865 ABE 0.9083
866 PFB 0.9083
867 0LH 0.9080
868 69O 0.9080
869 PBA 0.9080
870 IUR 0.9080
871 OMD 0.9079
872 HCS 0.9077
873 GXL 0.9076
874 INE 0.9075
875 LG4 0.9075
876 PEZ 0.9075
877 AHB 0.9074
878 L89 0.9074
879 FP2 0.9074
880 2ZM 0.9073
881 DQN 0.9072
882 8GF 0.9070
883 ZWZ 0.9070
884 23W 0.9070
885 CIG 0.9070
886 XIY 0.9070
887 6X8 0.9068
888 8LG 0.9068
889 6NT 0.9068
890 0HN 0.9067
891 BCF 0.9067
892 SAN 0.9067
893 SKG 0.9066
894 MAE 0.9066
895 RAT 0.9065
896 BP9 0.9065
897 PCR 0.9065
898 2AF 0.9064
899 3AY 0.9064
900 GRO 0.9063
901 1DQ 0.9062
902 CFF 0.9060
903 92P 0.9059
904 HIS 0.9059
905 HSO 0.9057
906 25R 0.9057
907 CIZ 0.9055
908 OEM 0.9053
909 8ZE 0.9053
910 76X 0.9052
911 H62 0.9051
912 LEU 0.9051
913 YAN 0.9049
914 FGZ 0.9049
915 4FA 0.9048
916 A09 0.9048
917 YIO 0.9047
918 FA1 0.9047
919 HGQ 0.9047
920 DA1 0.9046
921 TM4 0.9045
922 7WG 0.9045
923 ADA 0.9045
924 V55 0.9043
925 PXY 0.9043
926 CEE 0.9042
927 TMZ 0.9042
928 4YO 0.9042
929 WDL 0.9041
930 ABI 0.9041
931 9YL 0.9040
932 32O 0.9040
933 X6X 0.9039
934 FRU 0.9039
935 X0V 0.9038
936 QSH 0.9038
937 2CL 0.9038
938 B3R 0.9037
939 LDP 0.9036
940 4SX 0.9036
941 GIV 0.9033
942 GLT 0.9033
943 H8N 0.9033
944 APZ 0.9031
945 SC2 0.9030
946 4H2 0.9028
947 YHO 0.9028
948 5DI 0.9026
949 5ZE 0.9026
950 MAQ 0.9026
951 C2Y 0.9026
952 G2H 0.9022
953 GZ3 0.9021
954 N7P 0.9020
955 1XX 0.9019
956 PPR 0.9019
957 1DV 0.9019
958 OVP 0.9018
959 263 0.9017
960 IBF 0.9017
961 HEW 0.9017
962 4M4 0.9016
963 EUG 0.9016
964 UAN 0.9016
965 C2B 0.9015
966 M3T 0.9015
967 A13 0.9014
968 DHR 0.9012
969 II6 0.9012
970 NDM 0.9011
971 AUD 0.9011
972 F9Y 0.9010
973 YTB 0.9010
974 2HU 0.9009
975 TAG 0.9009
976 4TU 0.9008
977 OHG 0.9007
978 N8P 0.9007
979 BBF 0.9005
980 4XX 0.9005
981 PDC 0.9005
982 2A9 0.9003
983 SPV 0.9002
984 AC5 0.9002
985 1F1 0.9001
986 K34 0.9001
987 ZZ8 0.9000
988 8WO 0.9000
989 NK2 0.8999
990 LKA 0.8999
991 2ZX 0.8998
992 KPL 0.8997
993 44V 0.8996
994 IHG 0.8996
995 ERH 0.8995
996 SOR 0.8995
997 E5X 0.8994
998 SR1 0.8993
999 MUA 0.8991
1000 NYL 0.8990
1001 MQN 0.8990
1002 DE5 0.8990
1003 YRL 0.8989
1004 URS 0.8985
1005 DEE 0.8985
1006 HAI 0.8983
1007 4ZA 0.8983
1008 CXL 0.8982
1009 PCI 0.8982
1010 AEF 0.8981
1011 4CH 0.8980
1012 AKB 0.8979
1013 BK9 0.8979
1014 GCW 0.8979
1015 CYH 0.8979
1016 IOM 0.8978
1017 12B 0.8978
1018 4J8 0.8978
1019 6NI 0.8976
1020 FBS 0.8975
1021 B62 0.8975
1022 SEP 0.8974
1023 CMS 0.8973
1024 F1A 0.8972
1025 M6W 0.8972
1026 XHP 0.8972
1027 1M2 0.8971
1028 TBP 0.8971
1029 3A9 0.8971
1030 5NI 0.8971
1031 2AS 0.8970
1032 SNE 0.8969
1033 HSM 0.8969
1034 LER 0.8968
1035 AJV 0.8968
1036 DTL 0.8966
1037 44W 0.8966
1038 GV9 0.8965
1039 AMS 0.8964
1040 GG6 0.8964
1041 4JQ 0.8963
1042 95Z 0.8959
1043 Y8I 0.8958
1044 QX2 0.8957
1045 7VJ 0.8956
1046 NTZ 0.8956
1047 4FH 0.8956
1048 6RQ 0.8951
1049 GLY PRO 0.8950
1050 HA7 0.8950
1051 IPM 0.8949
1052 1SA 0.8949
1053 F31 0.8949
1054 JAW 0.8949
1055 4PW 0.8948
1056 H3M 0.8948
1057 YQA 0.8947
1058 PRF 0.8947
1059 QWW 0.8946
1060 BCU 0.8943
1061 D07 0.8943
1062 1U6 0.8943
1063 MMA 0.8942
1064 258 0.8939
1065 4MU 0.8939
1066 0FO 0.8939
1067 N8Y 0.8939
1068 0TU 0.8938
1069 HQ9 0.8937
1070 TMT 0.8936
1071 CDV 0.8936
1072 4WL 0.8935
1073 GUA 0.8935
1074 BML 0.8935
1075 8WT 0.8934
1076 TBS 0.8934
1077 2BG 0.8933
1078 F3B 0.8932
1079 GOX 0.8932
1080 ARW 0.8932
1081 ANN 0.8932
1082 GCV 0.8931
1083 GM7 0.8930
1084 QAT 0.8930
1085 4NM 0.8930
1086 SIF 0.8930
1087 PKU 0.8929
1088 AIN 0.8926
1089 94N 0.8924
1090 N2I 0.8923
1091 GJS 0.8921
1092 0F9 0.8921
1093 TGX 0.8919
1094 TOF 0.8919
1095 D3M 0.8918
1096 OTW 0.8914
1097 SF6 0.8913
1098 SF9 0.8913
1099 B0D 0.8913
1100 449 0.8912
1101 6VD 0.8912
1102 RBJ 0.8911
1103 EV0 0.8911
1104 9FL 0.8911
1105 9KT 0.8911
1106 KIA 0.8909
1107 KIB 0.8909
1108 6ME 0.8909
1109 QIC 0.8909
1110 6HQ 0.8909
1111 7ME 0.8908
1112 HHQ 0.8907
1113 NVU 0.8906
1114 2AK 0.8905
1115 4HS 0.8903
1116 QAS 0.8902
1117 HX2 0.8902
1118 GZ8 0.8901
1119 23B 0.8900
1120 PNZ 0.8900
1121 GZQ 0.8898
1122 AMH 0.8897
1123 MZ0 0.8896
1124 DQU 0.8895
1125 HC4 0.8894
1126 QX4 0.8890
1127 SIN 0.8890
1128 MZW 0.8890
1129 BVC 0.8887
1130 MBG 0.8887
1131 LFR 0.8886
1132 259 0.8886
1133 M4E 0.8885
1134 NCD 0.8882
1135 1AL 0.8881
1136 MBN 0.8879
1137 H6B 0.8878
1138 A29 0.8877
1139 GLU 0.8876
1140 4XV 0.8875
1141 8CL 0.8875
1142 IQ0 0.8875
1143 AKG 0.8875
1144 LI6 0.8874
1145 K17 0.8874
1146 15E 0.8872
1147 0FN 0.8871
1148 9PY 0.8870
1149 GIM 0.8867
1150 PQ0 0.8867
1151 OA3 0.8866
1152 SXS 0.8865
1153 GXE 0.8865
1154 A2Q 0.8864
1155 I2M 0.8864
1156 EDR 0.8863
1157 PIM 0.8862
1158 DII 0.8861
1159 4VY 0.8858
1160 264 0.8857
1161 2IM 0.8857
1162 6XI 0.8854
1163 ONR 0.8852
1164 CP 0.8852
1165 DTU 0.8851
1166 4XS 0.8850
1167 285 0.8850
1168 QMP 0.8848
1169 AEZ 0.8848
1170 MVN 0.8847
1171 GT0 0.8846
1172 2F6 0.8846
1173 GXY 0.8845
1174 4JN 0.8844
1175 PHH 0.8844
1176 AS3 0.8843
1177 FX1 0.8842
1178 3V4 0.8842
1179 HTP 0.8841
1180 PD2 0.8839
1181 N3W 0.8839
1182 FA3 0.8838
1183 IPH 0.8835
1184 HVQ 0.8834
1185 93B 0.8833
1186 209 0.8833
1187 SEJ 0.8832
1188 TFU 0.8832
1189 M3H 0.8831
1190 34V 0.8830
1191 JXN 0.8829
1192 42J 0.8826
1193 192 0.8826
1194 H33 0.8824
1195 O2A 0.8823
1196 PSV 0.8823
1197 PX7 0.8822
1198 DNF 0.8822
1199 V1L 0.8821
1200 4BZ 0.8821
1201 FUD 0.8820
1202 I4B 0.8818
1203 TCZ 0.8817
1204 LLQ 0.8816
1205 LT8 0.8816
1206 ZVO 0.8816
1207 1IT 0.8816
1208 FBU 0.8814
1209 9CA 0.8813
1210 NVI 0.8813
1211 KG7 0.8813
1212 JB8 0.8812
1213 JDN 0.8812
1214 HIU 0.8812
1215 HHH 0.8811
1216 CWJ 0.8808
1217 PHE 0.8807
1218 GLO 0.8807
1219 DQA 0.8804
1220 Q02 0.8803
1221 L60 0.8803
1222 BPN 0.8802
1223 SN4 0.8798
1224 NCT 0.8798
1225 ENL 0.8797
1226 MUC 0.8795
1227 APG 0.8794
1228 MVL 0.8793
1229 8G0 0.8792
1230 2FT 0.8791
1231 PIY 0.8790
1232 KSW 0.8789
1233 XXP 0.8786
1234 1WC 0.8783
1235 KFH 0.8779
1236 GTL 0.8779
1237 UFV 0.8778
1238 SFU 0.8778
1239 FUM 0.8776
1240 7B3 0.8776
1241 TVP 0.8774
1242 9X6 0.8774
1243 TTO 0.8772
1244 DMG 0.8772
1245 7WR 0.8771
1246 60Q 0.8769
1247 9R5 0.8767
1248 GLN 0.8766
1249 CSS 0.8764
1250 MED 0.8764
1251 MB3 0.8764
1252 TYL 0.8763
1253 A65 0.8761
1254 R67 0.8761
1255 8K2 0.8761
1256 2FQ 0.8757
1257 269 0.8756
1258 KTA 0.8755
1259 BVG 0.8754
1260 HQJ 0.8754
1261 4AP 0.8752
1262 PEY 0.8751
1263 2KT 0.8750
1264 3BU 0.8749
1265 3PY 0.8749
1266 MFU 0.8749
1267 IOL 0.8749
1268 DSN 0.8747
1269 F69 0.8746
1270 MJ2 0.8745
1271 HRZ 0.8744
1272 GLL 0.8744
1273 HHN 0.8744
1274 FW5 0.8743
1275 15N 0.8743
1276 DPZ 0.8741
1277 KDV 0.8739
1278 BSP 0.8736
1279 CGB 0.8736
1280 94W 0.8734
1281 CEJ 0.8734
1282 3AP 0.8732
1283 MLA 0.8729
1284 HNQ 0.8725
1285 VOH 0.8724
1286 2AP 0.8722
1287 HVK 0.8720
1288 SER 0.8720
1289 JND 0.8720
1290 7EX 0.8720
1291 GCO 0.8719
1292 PZM 0.8718
1293 DGY 0.8717
1294 24T 0.8717
1295 XXG 0.8716
1296 K8X 0.8716
1297 DBB 0.8715
1298 9PO 0.8715
1299 PAV 0.8706
1300 091 0.8703
1301 NK1 0.8701
1302 EOL 0.8700
1303 CLZ 0.8700
1304 13P 0.8700
1305 C5J 0.8700
1306 XRG 0.8696
1307 HDA 0.8693
1308 SYA 0.8691
1309 5NE 0.8688
1310 6OT 0.8687
1311 HA5 0.8686
1312 9KH 0.8686
1313 KDF 0.8685
1314 MLI 0.8682
1315 PIH 0.8681
1316 4SD 0.8681
1317 BNF 0.8679
1318 L5V 0.8678
1319 R9Y 0.8675
1320 LGA 0.8674
1321 K6X 0.8673
1322 25T 0.8669
1323 CYS 0.8669
1324 JKZ 0.8666
1325 CIT 0.8664
1326 HYN 0.8661
1327 IAC 0.8659
1328 7MX 0.8657
1329 39O 0.8656
1330 0OC 0.8655
1331 DTI 0.8655
1332 MMZ 0.8651
1333 PAE 0.8650
1334 E60 0.8649
1335 JTH 0.8647
1336 DCY 0.8646
1337 IZC 0.8645
1338 JU2 0.8645
1339 BNT 0.8644
1340 HGW 0.8643
1341 E1T 0.8639
1342 DXX 0.8638
1343 CH9 0.8634
1344 2EZ 0.8633
1345 FK8 0.8631
1346 AMG 0.8631
1347 8XQ 0.8631
1348 49O 0.8631
1349 Q7A 0.8622
1350 SDD 0.8621
1351 MQB 0.8620
1352 ESP 0.8618
1353 HSL 0.8615
1354 KMT 0.8614
1355 1A7 0.8613
1356 BZ2 0.8613
1357 1XA 0.8610
1358 HHT 0.8608
1359 28N 0.8608
1360 PJW 0.8607
1361 P2D 0.8607
1362 DHY 0.8606
1363 8XL 0.8606
1364 PFL 0.8603
1365 MHK 0.8602
1366 K32 0.8601
1367 ZB1 0.8597
1368 ABA 0.8594
1369 GVG 0.8590
1370 FSW 0.8590
1371 FLV 0.8587
1372 FLC 0.8587
1373 XIX 0.8586
1374 ZYR 0.8576
1375 1DH 0.8571
1376 57O 0.8561
1377 RJY 0.8559
1378 GYP 0.8558
1379 E3D 0.8553
1380 PQK 0.8552
1381 EJZ 0.8551
1382 PBR 0.8550
1383 4HP 0.8549
1384 3HL 0.8549
1385 KYA 0.8548
1386 ICB 0.8545
1387 RUY 0.8534
1388 P4B 0.8529
1389 KGK 0.8526
1390 TWO 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3H78; Ligand: BE2; 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: 3h78.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3H78; Ligand: BE2; 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: 3h78.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3H78; Ligand: BE2; 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: 3h78.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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