Receptor
PDB id Resolution Class Description Source Keywords
4YPF 2.2 Å EC: 6.1.1.21 CRYSTAL STRUCTURE OF T. CRUZI HISTIDYL-TRNA SYNTHETASE IN CO QUINOLIN-3-AMINE (CHEM 84) TRYPANOSOMA CRUZI (STRAIN CL BRENER) LIGASE AMINOACYL-TRNA SYNTHETASE AARS HISRS TRYPANOSOMA PROTEIN-INHIBITOR COMPLEX LIGASE-LIGASE INHIBITOR COMPLEX
Ref.: A BINDING HOTSPOT IN TRYPANOSOMA CRUZI HISTIDYL-TRN SYNTHETASE REVEALED BY FRAGMENT-BASED CRYSTALLOGRAP COCKTAIL SCREENS. ACTA CRYSTALLOGR. D BIOL. V. 71 1684 2015 CRYSTALLOGR.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:508;
A:507;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
4FS A:502;
Valid;
none;
submit data
144.173 C9 H8 N2 c1ccc...
SO4 A:505;
A:506;
A:504;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
EDO A:503;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YRI 2 Å EC: 6.1.1.21 CRYSTAL STRUCTURE OF T. CRUZI HISTIDYL-TRNA SYNTHETASE IN CO 1-(3-BROMOPHENYL)METHANAMINE (CHEM 166) TRYPANOSOMA CRUZI (STRAIN CL BRENER) LIGASE AMINOACYL-TRNA SYNTHETASE AARS HISRS TRYPANOSOMA PROTEIN-INHIBITOR COMPLEX LIGASE-LIGASE INHIBITOR COMPLEX
Ref.: A BINDING HOTSPOT IN TRYPANOSOMA CRUZI HISTIDYL-TRN SYNTHETASE REVEALED BY FRAGMENT-BASED CRYSTALLOGRAP COCKTAIL SCREENS. ACTA CRYSTALLOGR. D BIOL. V. 71 1684 2015 CRYSTALLOGR.
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4YRI - 4JH C7 H8 Br N c1cc(cc(c1....
2 4YRF - 4HS C5 H4 Br N O C1=CC(=O)N....
3 4YRP - PZH C7 H8 Br N c1cc(ccc1C....
4 4YRC - 0P6 C9 H8 N2 O c1cc2ccc(n....
5 4YRJ - 4JJ C6 H7 Cl N2 c1cc(c(cc1....
6 4YRQ - 4JQ C9 H7 N O2 c1cc2c(cc1....
7 4YP0 - 5IQ C9 H8 N2 c1cc2cnccc....
8 4YRM - 282 C6 H7 N O COc1cccnc1
9 4YRL - 4JM C7 H9 N S CSc1ccc(cc....
10 4YPF - 4FS C9 H8 N2 c1ccc2c(c1....
11 4YRE - 4HR C7 H7 Br O c1ccc(c(c1....
12 4YRN - 4JN C5 H5 Br N2 c1cc(ncc1N....
13 4YRK - 4JL C7 H7 Cl O c1cc(ccc1C....
14 4YRO - 4JO C6 H7 Br N2 Cc1c(ccc(n....
15 4YRR - 691 C11 H10 N2 O CC(=O)Nc1c....
16 4YRG - 4HU C6 H6 Br N O c1cc(nc(c1....
70% 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 4YRI - 4JH C7 H8 Br N c1cc(cc(c1....
2 4YRF - 4HS C5 H4 Br N O C1=CC(=O)N....
3 4YRP - PZH C7 H8 Br N c1cc(ccc1C....
4 4YRC - 0P6 C9 H8 N2 O c1cc2ccc(n....
5 4YRJ - 4JJ C6 H7 Cl N2 c1cc(c(cc1....
6 4YRQ - 4JQ C9 H7 N O2 c1cc2c(cc1....
7 4YP0 - 5IQ C9 H8 N2 c1cc2cnccc....
8 4YRM - 282 C6 H7 N O COc1cccnc1
9 4YRL - 4JM C7 H9 N S CSc1ccc(cc....
10 4YPF - 4FS C9 H8 N2 c1ccc2c(c1....
11 4YRE - 4HR C7 H7 Br O c1ccc(c(c1....
12 4YRN - 4JN C5 H5 Br N2 c1cc(ncc1N....
13 4YRK - 4JL C7 H7 Cl O c1cc(ccc1C....
14 4YRO - 4JO C6 H7 Br N2 Cc1c(ccc(n....
15 4YRR - 691 C11 H10 N2 O CC(=O)Nc1c....
16 4YRG - 4HU C6 H6 Br N O c1cc(nc(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 4YRI - 4JH C7 H8 Br N c1cc(cc(c1....
2 4YRF - 4HS C5 H4 Br N O C1=CC(=O)N....
3 4YRP - PZH C7 H8 Br N c1cc(ccc1C....
4 4YRC - 0P6 C9 H8 N2 O c1cc2ccc(n....
5 4YRJ - 4JJ C6 H7 Cl N2 c1cc(c(cc1....
6 4YRQ - 4JQ C9 H7 N O2 c1cc2c(cc1....
7 4YP0 - 5IQ C9 H8 N2 c1cc2cnccc....
8 4YRM - 282 C6 H7 N O COc1cccnc1
9 4YRL - 4JM C7 H9 N S CSc1ccc(cc....
10 4YPF - 4FS C9 H8 N2 c1ccc2c(c1....
11 4YRE - 4HR C7 H7 Br O c1ccc(c(c1....
12 4YRN - 4JN C5 H5 Br N2 c1cc(ncc1N....
13 4YRK - 4JL C7 H7 Cl O c1cc(ccc1C....
14 4YRO - 4JO C6 H7 Br N2 Cc1c(ccc(n....
15 4YRR - 691 C11 H10 N2 O CC(=O)Nc1c....
16 4YRG - 4HU C6 H6 Br N O c1cc(nc(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4FS; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 4FS 1 1
2 KDV 0.456522 0.625
3 691 0.431373 0.740741
Similar Ligands (3D)
Ligand no: 1; Ligand: 4FS; Similar ligands found: 1298
No: Ligand Similarity coefficient
1 ES5 1.0000
2 COU 1.0000
3 2AQ 1.0000
4 OCH 1.0000
5 03V 1.0000
6 JB5 1.0000
7 H42 1.0000
8 JAE 0.9916
9 14O 0.9876
10 5H1 0.9870
11 5MI 0.9869
12 F60 0.9862
13 5WV 0.9862
14 2K4 0.9851
15 BZX 0.9850
16 11S 0.9847
17 5MB 0.9835
18 ABV 0.9832
19 ISN 0.9823
20 6AI 0.9810
21 ES9 0.9807
22 FK1 0.9797
23 H4N 0.9796
24 KUF 0.9796
25 ET2 0.9794
26 5OB 0.9784
27 BZ3 0.9782
28 FBB 0.9778
29 CLW 0.9778
30 RM1 0.9778
31 1P7 0.9777
32 K2T 0.9773
33 3PF 0.9773
34 8ZE 0.9771
35 7W4 0.9770
36 ES2 0.9767
37 5QY 0.9767
38 I3A 0.9760
39 36R 0.9753
40 G3E 0.9752
41 5XC 0.9750
42 4JT 0.9750
43 MQN 0.9747
44 KKN 0.9747
45 2MI 0.9744
46 2HQ 0.9744
47 ES7 0.9743
48 4JQ 0.9741
49 7HQ 0.9735
50 1P8 0.9735
51 QUZ 0.9733
52 SYV 0.9729
53 CWS 0.9729
54 AX7 0.9727
55 KJH 0.9725
56 0TU 0.9725
57 270 0.9724
58 NPY 0.9724
59 D48 0.9724
60 TTL 0.9722
61 0P6 0.9721
62 N2I 0.9716
63 A7W 0.9714
64 8NY 0.9713
65 DIN 0.9712
66 XQ0 0.9711
67 J9W 0.9710
68 XM0 0.9709
69 7W1 0.9708
70 VGD 0.9708
71 PXL 0.9707
72 BGC 0.9707
73 CTL 0.9700
74 MR1 0.9700
75 12Q 0.9698
76 2BG 0.9695
77 KJU 0.9694
78 XIY 0.9691
79 Q24 0.9690
80 MEW 0.9688
81 5B1 0.9686
82 5QX 0.9684
83 8CM 0.9683
84 AZ8 0.9683
85 6M9 0.9681
86 MRW 0.9680
87 GLC 0.9678
88 PE0 0.9677
89 P92 0.9674
90 F9Y 0.9672
91 SE2 0.9671
92 TH7 0.9671
93 1DW 0.9671
94 4YO 0.9670
95 PHB 0.9670
96 86J 0.9668
97 AQO 0.9666
98 ISZ 0.9663
99 173 0.9661
100 5VM 0.9657
101 M5K 0.9657
102 J5I 0.9655
103 1M2 0.9654
104 AJ2 0.9654
105 HQT 0.9649
106 4HC 0.9645
107 3ID 0.9644
108 M1Q 0.9643
109 NPO 0.9640
110 HMH 0.9636
111 BHO 0.9630
112 SKA 0.9628
113 PAB 0.9623
114 67N 0.9622
115 DMD 0.9620
116 EA1 0.9615
117 HBD 0.9613
118 NIZ 0.9612
119 3Z8 0.9612
120 0RW 0.9602
121 CFI 0.9601
122 FA0 0.9596
123 2CK 0.9590
124 F05 0.9589
125 4M0 0.9587
126 9R5 0.9587
127 1PT 0.9586
128 1Y6 0.9582
129 I1E 0.9578
130 5GU 0.9573
131 M1A 0.9572
132 GTQ 0.9566
133 5NU 0.9564
134 Q88 0.9564
135 5RG 0.9562
136 DOB 0.9557
137 5CU 0.9557
138 BHA 0.9555
139 42A 0.9551
140 9EW 0.9551
141 LZM 0.9545
142 24W 0.9544
143 M2K 0.9541
144 AZA 0.9540
145 0JD 0.9540
146 HLR 0.9535
147 AHR 0.9533
148 BCU 0.9532
149 6NT 0.9530
150 2EC 0.9530
151 9FL 0.9529
152 717 0.9528
153 9DG 0.9528
154 B62 0.9528
155 CWM 0.9527
156 LT2 0.9527
157 GCS 0.9527
158 IV2 0.9526
159 ES0 0.9525
160 NDH 0.9524
161 URC 0.9522
162 6RQ 0.9521
163 G3F 0.9521
164 6M4 0.9519
165 NOJ 0.9518
166 J9Q 0.9517
167 BEA 0.9515
168 5RN 0.9515
169 KT7 0.9514
170 FYU 0.9513
171 4MA 0.9513
172 PBZ 0.9509
173 54G 0.9508
174 3F0 0.9508
175 N8Y 0.9507
176 1LQ 0.9505
177 JA8 0.9503
178 6GU 0.9503
179 GUN 0.9503
180 826 0.9501
181 QBK 0.9500
182 1SQ 0.9499
183 1NP 0.9499
184 O72 0.9498
185 0HN 0.9498
186 5M0 0.9495
187 94W 0.9490
188 HQY 0.9490
189 0HO 0.9490
190 ADZ 0.9490
191 5NI 0.9490
192 XAZ 0.9490
193 ICO 0.9488
194 5Q0 0.9486
195 XHP 0.9486
196 Z82 0.9486
197 E5X 0.9486
198 FDB 0.9485
199 XAN 0.9483
200 174 0.9483
201 4AA 0.9482
202 4P5 0.9482
203 15E 0.9481
204 BOA 0.9481
205 8GC 0.9481
206 5SG 0.9480
207 CWJ 0.9479
208 4YS 0.9477
209 AZ9 0.9477
210 6AP 0.9476
211 2D0 0.9475
212 141 0.9474
213 SAL 0.9473
214 P72 0.9472
215 4NC 0.9472
216 A2F 0.9470
217 44W 0.9469
218 AJV 0.9469
219 DHB 0.9469
220 R8V 0.9469
221 4HM 0.9469
222 5JQ 0.9468
223 5IQ 0.9467
224 3HA 0.9467
225 XYP 0.9466
226 HH5 0.9465
227 DBH 0.9464
228 3NY 0.9464
229 1XM 0.9462
230 SVN 0.9460
231 F9P 0.9459
232 IGA 0.9458
233 3M0 0.9454
234 ES1 0.9454
235 8OZ 0.9454
236 92K 0.9453
237 TPA 0.9453
238 FBM 0.9452
239 HDH 0.9452
240 54D 0.9451
241 DRL 0.9451
242 JLZ 0.9451
243 75K 0.9450
244 TGX 0.9450
245 4CS 0.9450
246 4BZ 0.9450
247 8H8 0.9449
248 FE DB1 0.9448
249 QX4 0.9448
250 B57 0.9447
251 YH7 0.9447
252 7B4 0.9445
253 9CA 0.9444
254 DX4 0.9443
255 2HU 0.9441
256 1F1 0.9441
257 4XR 0.9441
258 OAA 0.9440
259 SHA 0.9438
260 GAB 0.9437
261 R9Y 0.9437
262 BTY 0.9436
263 2ZM 0.9436
264 3AB 0.9432
265 9TZ 0.9432
266 JPZ 0.9431
267 1IT 0.9430
268 PNZ 0.9430
269 DQU 0.9428
270 0FO 0.9428
271 6CS 0.9428
272 A29 0.9426
273 N5J 0.9425
274 XX2 0.9425
275 OVM 0.9425
276 INO 0.9425
277 P9P 0.9424
278 15N 0.9422
279 6ME 0.9422
280 MUA 0.9421
281 3MB 0.9421
282 4SV 0.9421
283 8S0 0.9421
284 6NI 0.9418
285 DEN 0.9418
286 HQD 0.9417
287 KOJ 0.9417
288 8WO 0.9417
289 LXC 0.9417
290 BCP 0.9415
291 OTW 0.9414
292 5MK 0.9412
293 E7Z 0.9412
294 HIS 0.9412
295 3HB 0.9411
296 MWP 0.9411
297 JBH 0.9410
298 FQI 0.9410
299 3A9 0.9410
300 1LM 0.9409
301 JBE 0.9409
302 SX1 0.9408
303 0CU 0.9408
304 VK3 0.9407
305 NCA 0.9406
306 AC0 0.9405
307 BEZ 0.9404
308 NQ 0.9402
309 4A3 0.9402
310 3NT 0.9401
311 BE2 0.9401
312 8WT 0.9401
313 PHU 0.9399
314 97T 0.9399
315 5HN 0.9398
316 MYJ 0.9398
317 ANN 0.9397
318 BSX 0.9397
319 290 0.9396
320 6PC 0.9396
321 YCP 0.9394
322 M4T 0.9392
323 FHB 0.9390
324 OVV 0.9390
325 CFP 0.9389
326 AZG 0.9389
327 M1E 0.9389
328 XBT 0.9389
329 8TX 0.9387
330 WCE 0.9387
331 MLT 0.9386
332 TH0 0.9385
333 2HO 0.9384
334 NNO 0.9384
335 3HM 0.9383
336 BEN 0.9383
337 BAM 0.9383
338 NK 0.9380
339 7VS 0.9380
340 93K 0.9378
341 9MG 0.9378
342 53C 0.9377
343 RXA 0.9376
344 MAQ 0.9376
345 B60 0.9375
346 0N7 0.9373
347 B55 0.9373
348 3U4 0.9372
349 IND 0.9370
350 E1T 0.9370
351 JAW 0.9368
352 4MU 0.9368
353 MS9 0.9368
354 2AK 0.9367
355 ABI 0.9366
356 4WL 0.9366
357 G5V 0.9365
358 FAN 0.9362
359 NIO 0.9362
360 MVN 0.9359
361 ODO 0.9359
362 HH8 0.9355
363 NBZ 0.9355
364 5RO 0.9354
365 JBK 0.9353
366 GAL 0.9353
367 MO8 0.9351
368 B53 0.9349
369 BZ2 0.9348
370 ES6 0.9346
371 HBA 0.9346
372 K34 0.9345
373 BZI 0.9344
374 4JP 0.9344
375 NSP 0.9343
376 5JL 0.9342
377 82I 0.9342
378 4Z4 0.9341
379 M0W 0.9341
380 LZ1 0.9337
381 APZ 0.9337
382 HMU 0.9337
383 0W8 0.9335
384 AC6 0.9333
385 0R1 0.9331
386 3BZ 0.9331
387 MCT 0.9331
388 44V 0.9330
389 HLZ 0.9330
390 J9T 0.9328
391 DBX 0.9328
392 CHB 0.9327
393 IDM 0.9327
394 PBA 0.9327
395 QWN 0.9326
396 SOE 0.9326
397 4XH 0.9324
398 UNU 0.9324
399 BZF 0.9323
400 7MU 0.9323
401 BDP 0.9322
402 NTN 0.9321
403 PZI 0.9319
404 SS1 0.9318
405 4ZA 0.9317
406 32X 0.9317
407 2FY 0.9315
408 QSB 0.9315
409 J6W 0.9315
410 1WG 0.9314
411 OK7 0.9312
412 L99 0.9312
413 MPI 0.9311
414 2CQ 0.9311
415 PZA 0.9310
416 3DM 0.9308
417 OTR 0.9306
418 XQG 0.9304
419 6VD 0.9302
420 M0Q 0.9301
421 0CT 0.9301
422 DHR 0.9300
423 14J 0.9299
424 TTY 0.9296
425 BPN 0.9296
426 JB8 0.9295
427 3WA 0.9294
428 ASO 0.9290
429 HHA 0.9290
430 PBC 0.9290
431 4ZC 0.9289
432 GVH 0.9288
433 RMN 0.9288
434 BRT 0.9287
435 PYQ 0.9286
436 ZBT 0.9286
437 24B 0.9285
438 CLZ 0.9284
439 9TW 0.9284
440 FP1 0.9277
441 EUG 0.9277
442 BE7 0.9275
443 OW4 0.9275
444 4TU 0.9274
445 150 0.9274
446 5JC 0.9273
447 VGL 0.9272
448 ICB 0.9272
449 PRF 0.9272
450 GCU 0.9272
451 SW7 0.9270
452 PIM 0.9270
453 4HO 0.9269
454 HA5 0.9267
455 ESP 0.9265
456 JZ3 0.9264
457 IHB 0.9264
458 GOJ 0.9261
459 SWA 0.9261
460 MZG 0.9260
461 MWM 0.9258
462 DHQ 0.9257
463 4VP 0.9256
464 M1H 0.9255
465 SRO 0.9252
466 4FA 0.9252
467 XBZ 0.9251
468 SLS 0.9251
469 QXW 0.9250
470 069 0.9250
471 JDN 0.9249
472 1MC 0.9248
473 PIY 0.9244
474 G6D 0.9243
475 EQT 0.9242
476 AEF 0.9242
477 2FQ 0.9240
478 URF 0.9239
479 ZZT 0.9239
480 J9N 0.9238
481 3IT 0.9237
482 E7S 0.9236
483 DE5 0.9234
484 9ZE 0.9234
485 TT4 0.9234
486 4ZE 0.9233
487 52C 0.9233
488 JKE 0.9232
489 PEY 0.9232
490 ADE 0.9232
491 PQ0 0.9231
492 TSS 0.9230
493 RSF 0.9230
494 5MH 0.9229
495 MWJ 0.9228
496 DYA 0.9228
497 R8S 0.9227
498 PKU 0.9227
499 NID 0.9226
500 0FN 0.9226
501 GVG 0.9226
502 HC4 0.9225
503 2YU 0.9224
504 275 0.9223
505 RSO 0.9222
506 4CL 0.9221
507 4JJ 0.9221
508 PH2 0.9221
509 2AC 0.9220
510 IPB 0.9220
511 7NI 0.9218
512 27Y 0.9218
513 ZYR 0.9218
514 7WV 0.9216
515 PEA 0.9216
516 UNC 0.9215
517 HQJ 0.9215
518 6FZ 0.9214
519 4NM 0.9213
520 F31 0.9213
521 SAN 0.9211
522 IWT 0.9210
523 8IG 0.9209
524 BR9 0.9206
525 TYL 0.9205
526 25W 0.9205
527 HX3 0.9203
528 XYD 0.9202
529 JG8 0.9202
530 6KT 0.9202
531 1WD 0.9201
532 ESX 0.9201
533 261 0.9201
534 IFL 0.9201
535 GZL 0.9201
536 G2F 0.9201
537 TDR 0.9200
538 7ZE 0.9199
539 KJY 0.9199
540 HPA 0.9198
541 GXY 0.9198
542 M58 0.9195
543 WBU 0.9194
544 JZ2 0.9194
545 EN1 0.9194
546 4ME 0.9194
547 6M1 0.9191
548 34A 0.9189
549 23A 0.9189
550 XYS 0.9189
551 FCR 0.9188
552 GRE 0.9188
553 F4E 0.9188
554 0R0 0.9188
555 7ME 0.9188
556 92P 0.9188
557 YRL 0.9188
558 43M 0.9185
559 2MP 0.9184
560 51R 0.9183
561 JBQ 0.9182
562 CH9 0.9182
563 3OC 0.9181
564 TSU 0.9179
565 PRZ 0.9179
566 2ZQ 0.9178
567 HT4 0.9177
568 LDP 0.9177
569 2H5 0.9177
570 SRT 0.9176
571 GYE 0.9173
572 SN4 0.9172
573 2A9 0.9170
574 V55 0.9170
575 AKG 0.9170
576 ICP 0.9168
577 PYD 0.9168
578 MSR 0.9166
579 8W9 0.9164
580 5WY 0.9163
581 GDE 0.9162
582 F4Z 0.9162
583 TIU 0.9162
584 F0J 0.9161
585 LGC 0.9160
586 6F0 0.9159
587 SWD 0.9158
588 NCT 0.9157
589 A1U 0.9154
590 42C 0.9153
591 QSC 0.9153
592 H8N 0.9153
593 CTS 0.9153
594 3XX 0.9152
595 R9S 0.9152
596 LKA 0.9149
597 GJP 0.9147
598 EYK 0.9147
599 DHK 0.9146
600 BK9 0.9145
601 Q6T 0.9144
602 6MP 0.9143
603 2ZV 0.9142
604 3DO 0.9142
605 1XN 0.9140
606 PHE 0.9139
607 TM7 0.9137
608 259 0.9137
609 0F9 0.9137
610 FUD 0.9137
611 4M4 0.9136
612 ESI 0.9135
613 10L 0.9134
614 1KP 0.9134
615 DBJ 0.9133
616 1HN 0.9132
617 TOF 0.9132
618 1P3 0.9132
619 PAC 0.9131
620 JZ9 0.9130
621 39O 0.9130
622 45C 0.9130
623 9FE 0.9129
624 INE 0.9127
625 AAS 0.9126
626 NMJ 0.9126
627 RJY 0.9125
628 BTE 0.9125
629 RHU 0.9125
630 PDC 0.9125
631 NOY 0.9125
632 IFP 0.9124
633 3R6 0.9123
634 VNL 0.9123
635 EKZ 0.9122
636 VNJ 0.9121
637 4RU 0.9120
638 SXS 0.9120
639 FOT 0.9120
640 9DA 0.9120
641 5UC 0.9120
642 F81 0.9118
643 MT0 0.9117
644 TC7 0.9117
645 HHR 0.9117
646 TLD 0.9117
647 0FK 0.9116
648 BZJ 0.9115
649 IT2 0.9115
650 DEE 0.9114
651 CXF 0.9114
652 2LP 0.9113
653 M4E 0.9112
654 PD2 0.9111
655 UAN 0.9110
656 2LY 0.9110
657 DNF 0.9110
658 X0V 0.9110
659 SKM 0.9110
660 3Z7 0.9110
661 SHG 0.9110
662 C2Y 0.9109
663 8HC 0.9108
664 9HX 0.9107
665 3FH 0.9107
666 2AL 0.9107
667 37T 0.9106
668 4JM 0.9106
669 3QV 0.9106
670 DGJ 0.9106
671 1DV 0.9106
672 EVA 0.9106
673 2F6 0.9105
674 495 0.9104
675 NDM 0.9104
676 IAC 0.9104
677 APG 0.9104
678 DIU 0.9103
679 FDR 0.9101
680 LMR 0.9100
681 45L 0.9099
682 268 0.9096
683 SOR 0.9095
684 27B 0.9094
685 7WA 0.9093
686 BP1 0.9090
687 6TZ 0.9090
688 Y8I 0.9087
689 MXN 0.9085
690 AKH 0.9083
691 C2U 0.9082
692 7CZ 0.9082
693 F5B 0.9081
694 9KT 0.9080
695 OA3 0.9080
696 3SK 0.9080
697 4J8 0.9080
698 UFO 0.9078
699 HZQ 0.9076
700 1A7 0.9076
701 15L 0.9070
702 428 0.9070
703 7HP 0.9069
704 1U6 0.9069
705 TEP 0.9065
706 23J 0.9063
707 4JO 0.9062
708 DPZ 0.9061
709 OVP 0.9060
710 5VL 0.9060
711 0TR 0.9058
712 AN3 0.9057
713 P3K 0.9057
714 TZF 0.9057
715 FUL 0.9057
716 KYA 0.9056
717 CFF 0.9053
718 AMH 0.9052
719 39A 0.9050
720 IJZ 0.9050
721 M6N 0.9050
722 FBV 0.9049
723 L5V 0.9049
724 SNU 0.9049
725 4JU 0.9047
726 GTR 0.9047
727 QPR 0.9046
728 149 0.9046
729 5WX 0.9042
730 IUR 0.9041
731 RB5 0.9041
732 FBA 0.9040
733 ES4 0.9038
734 PM6 0.9033
735 CN0 0.9032
736 KTJ 0.9032
737 Z5P 0.9031
738 X05 0.9030
739 AJY 0.9028
740 12T 0.9027
741 60P 0.9026
742 GAF 0.9026
743 FBS 0.9025
744 RAM 0.9025
745 AMC 0.9025
746 L3Q 0.9024
747 0BP 0.9024
748 EXO 0.9024
749 JFJ 0.9024
750 YPN 0.9021
751 GAG 0.9020
752 B5D 0.9018
753 3BU 0.9018
754 2KA 0.9017
755 2MH 0.9017
756 AMS 0.9016
757 1GN 0.9016
758 GBD 0.9015
759 GLA 0.9014
760 ROI 0.9014
761 XCZ 0.9013
762 258 0.9013
763 7B3 0.9013
764 M3H 0.9013
765 209 0.9011
766 4NB 0.9010
767 GLU 0.9009
768 FBW 0.9008
769 DFB 0.9008
770 PFB 0.9007
771 FHC 0.9006
772 J1Z 0.9005
773 HJP 0.9005
774 IDH 0.9005
775 FB2 0.9005
776 PZM 0.9004
777 12B 0.9003
778 CPZ 0.9002
779 C2B 0.9001
780 HIO 0.9000
781 OXC 0.9000
782 GCB 0.8997
783 ARB 0.8997
784 MNM 0.8995
785 BNL 0.8994
786 2FG 0.8994
787 4BL 0.8990
788 LI6 0.8990
789 WOO 0.8988
790 FUC 0.8987
791 DX3 0.8984
792 RIP 0.8984
793 FGZ 0.8983
794 FPY 0.8982
795 1AL 0.8981
796 4SX 0.8981
797 Q71 0.8981
798 LCN 0.8980
799 XRG 0.8980
800 MAJ 0.8980
801 GCO 0.8980
802 IF7 0.8979
803 OXQ 0.8978
804 4VY 0.8978
805 FB1 0.8978
806 KTW 0.8977
807 K5W 0.8977
808 ORO 0.8976
809 UNJ 0.8975
810 M6W 0.8974
811 XXR 0.8974
812 H33 0.8973
813 LNR 0.8971
814 30G 0.8971
815 7VP 0.8970
816 4XV 0.8970
817 FRU 0.8970
818 8XL 0.8969
819 0MK 0.8969
820 PJW 0.8967
821 1SA 0.8967
822 7N0 0.8966
823 HA7 0.8966
824 PXM 0.8965
825 5LA 0.8964
826 8G0 0.8962
827 3RK 0.8961
828 ASC 0.8960
829 SMN 0.8960
830 DS0 0.8959
831 4FH 0.8959
832 Q02 0.8959
833 1L5 0.8959
834 0W1 0.8958
835 HSO 0.8958
836 SNO 0.8958
837 DFU 0.8958
838 HKD 0.8956
839 PCA 0.8954
840 0XT 0.8954
841 2HC 0.8954
842 JZ5 0.8954
843 X6X 0.8953
844 TP5 0.8952
845 ALL 0.8952
846 PA1 0.8952
847 FPI 0.8952
848 HQE 0.8951
849 N2Z 0.8950
850 AL0 0.8950
851 M4S 0.8949
852 BMA 0.8948
853 4BY 0.8947
854 ISE 0.8947
855 7VJ 0.8946
856 LG4 0.8946
857 4JL 0.8946
858 DIE 0.8945
859 QX2 0.8944
860 7WG 0.8944
861 D07 0.8943
862 PMB 0.8943
863 JXN 0.8942
864 BNF 0.8941
865 HPS 0.8940
866 HX4 0.8940
867 HBX 0.8939
868 MAN 0.8937
869 M45 0.8937
870 9RW 0.8936
871 6LW 0.8935
872 K17 0.8935
873 2PC 0.8934
874 PRO 0.8933
875 X0U 0.8932
876 QOS 0.8932
877 PHH 0.8932
878 TAR 0.8931
879 GXL 0.8931
880 VXX 0.8931
881 X09 0.8930
882 QWW 0.8930
883 C21 0.8930
884 GUA 0.8930
885 MPV 0.8929
886 OHP 0.8929
887 QSH 0.8928
888 TBS 0.8927
889 NVU 0.8927
890 FOA 0.8926
891 RNO 0.8925
892 SYN 0.8925
893 PY7 0.8921
894 PCR 0.8919
895 DOR 0.8919
896 XYL 0.8918
897 PYF 0.8918
898 PXY 0.8917
899 GIV 0.8915
900 KBG 0.8914
901 PLQ 0.8914
902 QY9 0.8914
903 AW5 0.8911
904 DTL 0.8911
905 091 0.8910
906 URP 0.8907
907 LSA 0.8906
908 329 0.8906
909 YIO 0.8906
910 36E 0.8903
911 MZW 0.8903
912 XXP 0.8902
913 TLA 0.8900
914 JIF 0.8900
915 FCA 0.8900
916 JUG 0.8900
917 5NE 0.8900
918 34D 0.8899
919 F12 0.8899
920 ONR 0.8899
921 25R 0.8899
922 JTH 0.8899
923 T6C 0.8898
924 TWO 0.8898
925 FK8 0.8897
926 G4D 0.8897
927 LQ2 0.8896
928 ABN 0.8896
929 ADA 0.8896
930 JBN 0.8893
931 UEG 0.8890
932 3ZB 0.8889
933 AA 0.8889
934 282 0.8888
935 A7H 0.8887
936 DHS 0.8887
937 SMV 0.8887
938 HY3 0.8887
939 680 0.8885
940 G1O 0.8885
941 Q7A 0.8884
942 KTA 0.8884
943 GNM 0.8883
944 AGK 0.8883
945 42J 0.8882
946 FDK 0.8882
947 ZVO 0.8881
948 T9G 0.8881
949 QMP 0.8880
950 DMJ 0.8880
951 XUL 0.8880
952 FBT 0.8879
953 286 0.8876
954 DA1 0.8876
955 4JC 0.8876
956 PEL 0.8875
957 28N 0.8874
958 RNS 0.8873
959 L22 0.8873
960 AFR 0.8872
961 SJ5 0.8871
962 FPN 0.8871
963 2K8 0.8871
964 HCI 0.8870
965 GIO 0.8868
966 4XS 0.8866
967 SR1 0.8866
968 CIT 0.8866
969 ASP 0.8866
970 A5E 0.8865
971 PYC 0.8864
972 FBJ 0.8863
973 GOO 0.8863
974 5TY 0.8862
975 PRY 0.8860
976 R8A 0.8860
977 FA1 0.8860
978 TZC 0.8859
979 265 0.8858
980 7MX 0.8857
981 RIB 0.8856
982 ABE 0.8856
983 3SL 0.8856
984 1DU 0.8856
985 BML 0.8854
986 273 0.8853
987 AZF 0.8852
988 GJZ 0.8851
989 PPY 0.8849
990 JU2 0.8848
991 FLV 0.8848
992 GIF 0.8846
993 226 0.8845
994 5WU 0.8845
995 2O6 0.8844
996 OGA 0.8844
997 CRS 0.8839
998 ANF 0.8838
999 INS 0.8838
1000 PYG 0.8837
1001 0LH 0.8836
1002 4HS 0.8836
1003 MAE 0.8836
1004 5XB 0.8836
1005 VOH 0.8835
1006 TSR 0.8833
1007 I3E 0.8833
1008 R20 0.8833
1009 4V2 0.8832
1010 KIB 0.8831
1011 WOT 0.8830
1012 HBO 0.8827
1013 LYL 0.8827
1014 95Z 0.8827
1015 G12 0.8826
1016 4CH 0.8824
1017 6QF 0.8824
1018 A09 0.8824
1019 RAT 0.8824
1020 X8D 0.8822
1021 OW7 0.8821
1022 OHG 0.8821
1023 M2H 0.8820
1024 GJS 0.8820
1025 PX7 0.8818
1026 MBG 0.8818
1027 S76 0.8818
1028 GO2 0.8817
1029 ZXD 0.8816
1030 M6Z 0.8815
1031 GM7 0.8814
1032 UFV 0.8814
1033 RCO 0.8814
1034 4KL 0.8813
1035 THA 0.8812
1036 PO6 0.8811
1037 HXX 0.8811
1038 FH2 0.8808
1039 NAG 0.8806
1040 JP2 0.8804
1041 JFD 0.8804
1042 A13 0.8803
1043 1WC 0.8802
1044 C2A 0.8801
1045 TEO 0.8800
1046 HHS 0.8799
1047 4JN 0.8799
1048 IFM 0.8799
1049 ADK 0.8798
1050 SVD 0.8797
1051 V1T 0.8796
1052 H4E 0.8796
1053 3CH 0.8794
1054 LDR 0.8793
1055 JZ4 0.8793
1056 QAT 0.8790
1057 D1X 0.8789
1058 BDF 0.8789
1059 NK2 0.8788
1060 7WR 0.8788
1061 5WZ 0.8787
1062 7MH 0.8787
1063 BPU 0.8786
1064 PFL 0.8785
1065 XDE 0.8784
1066 KYD 0.8783
1067 GLT 0.8782
1068 BPY 0.8782
1069 GLL 0.8782
1070 23W 0.8781
1071 8K2 0.8780
1072 OMD 0.8779
1073 AX3 0.8779
1074 K8X 0.8776
1075 PEP 0.8776
1076 GZ8 0.8774
1077 DRG 0.8772
1078 ZZZ 0.8772
1079 K32 0.8772
1080 IOL 0.8772
1081 UY7 0.8769
1082 W81 0.8769
1083 HFB 0.8768
1084 EXD 0.8768
1085 BCF 0.8765
1086 4LW 0.8765
1087 DQN 0.8764
1088 H76 0.8763
1089 BNS 0.8760
1090 8NX 0.8760
1091 61M 0.8760
1092 GLF 0.8759
1093 URA 0.8758
1094 HHH 0.8757
1095 68A 0.8756
1096 36Y 0.8755
1097 E35 0.8754
1098 344 0.8754
1099 TBP 0.8754
1100 Q77 0.8754
1101 RUY 0.8753
1102 RPQ 0.8752
1103 URS 0.8752
1104 3R4 0.8750
1105 TAG 0.8750
1106 5CL 0.8750
1107 BBF 0.8746
1108 H5B 0.8746
1109 RBL 0.8746
1110 2GS 0.8746
1111 DHY 0.8746
1112 CXP 0.8745
1113 AY4 0.8741
1114 3QM 0.8740
1115 GWM 0.8740
1116 CKA 0.8739
1117 9AP 0.8738
1118 1XA 0.8738
1119 GF4 0.8737
1120 S7J 0.8735
1121 JF2 0.8735
1122 6BL 0.8734
1123 JZ1 0.8734
1124 CYT 0.8734
1125 JF1 0.8732
1126 SKF 0.8731
1127 MBD 0.8731
1128 JAB 0.8730
1129 1MR 0.8730
1130 EV0 0.8729
1131 DA4 0.8728
1132 SIN 0.8728
1133 PQK 0.8728
1134 LG5 0.8727
1135 LG3 0.8726
1136 KBB 0.8725
1137 2XX 0.8725
1138 K6X 0.8725
1139 BVF 0.8723
1140 DNC 0.8720
1141 S2G 0.8720
1142 ZB1 0.8719
1143 E3D 0.8719
1144 LDU 0.8718
1145 QIC 0.8717
1146 EVF 0.8715
1147 GMN 0.8715
1148 SEP 0.8715
1149 DHI 0.8714
1150 FLC 0.8714
1151 OXZ 0.8712
1152 3CE 0.8712
1153 NBE 0.8709
1154 HGQ 0.8707
1155 2HG 0.8706
1156 0OC 0.8706
1157 L14 0.8705
1158 URQ 0.8705
1159 6MH 0.8705
1160 D3G 0.8704
1161 9PY 0.8703
1162 IP0 0.8702
1163 K22 0.8700
1164 NHG 0.8700
1165 HYP 0.8698
1166 IBF 0.8698
1167 3FA 0.8698
1168 BNT 0.8697
1169 F1A 0.8696
1170 B3R 0.8696
1171 RM4 0.8695
1172 3MC 0.8694
1173 2FT 0.8693
1174 26D 0.8693
1175 2MY 0.8692
1176 YSO 0.8692
1177 YZM 0.8692
1178 LPK 0.8692
1179 2C9 0.8691
1180 H7Y 0.8690
1181 FUF 0.8690
1182 HSM 0.8690
1183 HEW 0.8690
1184 SYA 0.8688
1185 CAQ 0.8687
1186 DNA 0.8686
1187 H62 0.8684
1188 I1N 0.8684
1189 QAS 0.8683
1190 2CM 0.8683
1191 FCB 0.8683
1192 MAK 0.8682
1193 1Z6 0.8680
1194 ANC 0.8678
1195 1LN 0.8678
1196 JND 0.8677
1197 47J 0.8677
1198 EMZ 0.8676
1199 BP9 0.8674
1200 ZZ8 0.8670
1201 948 0.8669
1202 13P 0.8666
1203 G3P 0.8666
1204 G3H 0.8666
1205 OXE 0.8666
1206 4P0 0.8665
1207 YQA 0.8664
1208 8XQ 0.8663
1209 5NS 0.8663
1210 FFP 0.8662
1211 SD4 0.8658
1212 FLM 0.8656
1213 HNQ 0.8655
1214 3MA 0.8655
1215 M3T 0.8655
1216 3J8 0.8652
1217 4H2 0.8652
1218 X0W 0.8651
1219 OKG 0.8649
1220 FUM 0.8647
1221 F3B 0.8646
1222 MHK 0.8646
1223 GGL 0.8645
1224 N3W 0.8645
1225 SF9 0.8644
1226 2CH 0.8644
1227 DUB 0.8643
1228 GLO 0.8642
1229 XLS 0.8641
1230 RD4 0.8641
1231 BSP 0.8639
1232 PHT 0.8639
1233 P9E 0.8638
1234 S0E 0.8638
1235 TXW 0.8638
1236 PCI 0.8637
1237 4I8 0.8634
1238 AEH 0.8633
1239 TIY 0.8631
1240 FBF 0.8630
1241 MFB 0.8630
1242 B85 0.8630
1243 CIG 0.8629
1244 AHB 0.8628
1245 ARA 0.8627
1246 LR5 0.8626
1247 36M 0.8626
1248 MRZ 0.8625
1249 GLN 0.8625
1250 3AE 0.8624
1251 8GF 0.8623
1252 ZZ3 0.8623
1253 I6G 0.8621
1254 449 0.8620
1255 NTM 0.8619
1256 9X7 0.8618
1257 C9E 0.8617
1258 ZWZ 0.8616
1259 R2P 0.8616
1260 KMY 0.8615
1261 XXG 0.8613
1262 HHQ 0.8610
1263 A7N 0.8609
1264 SME 0.8607
1265 EJZ 0.8604
1266 EGR 0.8603
1267 1QP 0.8601
1268 BEW 0.8601
1269 2PG 0.8600
1270 O2A 0.8600
1271 GV9 0.8599
1272 EOL 0.8598
1273 3MH 0.8598
1274 35C 0.8597
1275 7D2 0.8592
1276 FBU 0.8591
1277 BIK 0.8590
1278 6X8 0.8586
1279 NLA 0.8585
1280 MT5 0.8583
1281 NYL 0.8579
1282 IOS 0.8576
1283 795 0.8574
1284 SS2 0.8573
1285 B56 0.8568
1286 F2W 0.8567
1287 R2B 0.8565
1288 KGK 0.8563
1289 ASN 0.8560
1290 94N 0.8554
1291 06B 0.8552
1292 L7T 0.8550
1293 TZE 0.8540
1294 TM4 0.8539
1295 N0Z 0.8535
1296 LRH 0.8533
1297 HLD 0.8529
1298 GZ3 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YRI; Ligand: 4JH; 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: 4yri.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4YRI; Ligand: 4JH; 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: 4yri.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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