Receptor
PDB id Resolution Class Description Source Keywords
4YRC 2.1 Å EC: 6.1.1.21 CRYSTAL STRUCTURE OF T. CRUZI HISTIDYL-TRNA SYNTHETASE IN CO 2-AMINOQUINOLIN-8-OL (CHEM 89) 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:506;
A:505;
A:507;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
0P6 A:502;
A:503;
 Valid;
Valid;
 none;
none;
 submit data
160.173 C9 H8 N2 O c1cc2...
EDO A:508;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:504;
A:509;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
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: 0P6; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 0P6 1 1
2 0FK 0.489796 0.722222
3 8HC 0.469388 0.647059
Similar Ligands (3D)
Ligand no: 1; Ligand: 0P6; Similar ligands found: 1265
No: Ligand Similarity coefficient
1 KUF 1.0000
2 8CM 1.0000
3 CWS 0.9998
4 3Z8 0.9938
5 G3F 0.9834
6 24W 0.9812
7 APZ 0.9808
8 KT7 0.9804
9 GCS 0.9800
10 BGC 0.9796
11 2D0 0.9781
12 86J 0.9779
13 8S0 0.9779
14 XHP 0.9776
15 OTW 0.9772
16 6ME 0.9766
17 0FO 0.9765
18 N8Y 0.9764
19 1SQ 0.9762
20 DQU 0.9760
21 44W 0.9760
22 1NP 0.9758
23 HQY 0.9755
24 ES1 0.9754
25 5Q0 0.9753
26 1LQ 0.9753
27 5SG 0.9753
28 03V 0.9752
29 B60 0.9750
30 4YS 0.9747
31 1LM 0.9744
32 COU 0.9744
33 5IQ 0.9743
34 BEA 0.9742
35 JBH 0.9740
36 O72 0.9737
37 1P7 0.9736
38 JPZ 0.9734
39 2HQ 0.9733
40 MAQ 0.9733
41 B62 0.9732
42 5RG 0.9731
43 JB5 0.9730
44 TTL 0.9729
45 QX4 0.9727
46 N5J 0.9725
47 OCH 0.9725
48 2AQ 0.9723
49 MVN 0.9722
50 4FS 0.9721
51 44V 0.9720
52 GLC 0.9720
53 ES5 0.9716
54 DIN 0.9713
55 5QX 0.9711
56 12Q 0.9710
57 A7W 0.9709
58 M1Q 0.9709
59 GTQ 0.9695
60 H42 0.9692
61 BDP 0.9690
62 CWM 0.9687
63 4HC 0.9677
64 IV2 0.9676
65 Q88 0.9674
66 MRW 0.9674
67 ES0 0.9672
68 54G 0.9671
69 GCU 0.9671
70 5M0 0.9668
71 4XH 0.9666
72 7W1 0.9658
73 AJV 0.9658
74 HH8 0.9656
75 ISN 0.9654
76 R8V 0.9653
77 Q24 0.9648
78 LGC 0.9642
79 AQO 0.9635
80 4JT 0.9635
81 HQT 0.9631
82 M5K 0.9629
83 AZ8 0.9629
84 MUA 0.9628
85 DPZ 0.9628
86 KKN 0.9627
87 M6N 0.9625
88 5MK 0.9622
89 MEW 0.9622
90 DBJ 0.9622
91 URC 0.9617
92 AZ9 0.9614
93 PYQ 0.9611
94 5B1 0.9610
95 3DO 0.9608
96 G3E 0.9608
97 32X 0.9602
98 J9W 0.9602
99 DHQ 0.9600
100 ES7 0.9599
101 5WV 0.9598
102 AJ2 0.9596
103 7VS 0.9595
104 SX1 0.9592
105 5QY 0.9592
106 NDH 0.9590
107 ADZ 0.9589
108 DBH 0.9588
109 3PF 0.9585
110 FE DB1 0.9579
111 7HQ 0.9578
112 3HA 0.9577
113 3F0 0.9577
114 7B4 0.9576
115 6CS 0.9576
116 9MG 0.9573
117 RM1 0.9570
118 67N 0.9566
119 SKA 0.9566
120 8WT 0.9566
121 M0Q 0.9565
122 2EC 0.9565
123 PE0 0.9563
124 KBG 0.9562
125 UNC 0.9562
126 0N7 0.9560
127 PH2 0.9559
128 8ZE 0.9558
129 2FQ 0.9558
130 PXL 0.9558
131 GAL 0.9554
132 BTY 0.9553
133 HLZ 0.9553
134 CTL 0.9552
135 2AK 0.9550
136 XX2 0.9550
137 7W4 0.9549
138 SWA 0.9549
139 I3A 0.9548
140 XAZ 0.9543
141 MWP 0.9543
142 D48 0.9543
143 HQD 0.9541
144 3M0 0.9541
145 LT2 0.9541
146 MQN 0.9540
147 M1A 0.9537
148 QUZ 0.9537
149 15L 0.9536
150 9TZ 0.9535
151 FOT 0.9533
152 495 0.9532
153 PRF 0.9532
154 SE2 0.9531
155 XQ0 0.9530
156 MT0 0.9529
157 NDM 0.9528
158 4NC 0.9527
159 E7Z 0.9525
160 3WA 0.9525
161 GCB 0.9524
162 ASO 0.9524
163 4JQ 0.9523
164 J5I 0.9518
165 HJP 0.9515
166 4M4 0.9515
167 6M9 0.9514
168 0W8 0.9514
169 SOR 0.9513
170 JBQ 0.9512
171 NPY 0.9511
172 IJZ 0.9509
173 0TU 0.9509
174 5NU 0.9506
175 EQT 0.9504
176 TOF 0.9502
177 SYV 0.9500
178 SXS 0.9500
179 UFO 0.9500
180 3IT 0.9500
181 MO8 0.9497
182 EVA 0.9497
183 HHR 0.9496
184 92K 0.9495
185 DOB 0.9494
186 HZQ 0.9493
187 B55 0.9491
188 4YO 0.9490
189 F0J 0.9489
190 G6D 0.9489
191 JAE 0.9488
192 FA0 0.9488
193 B57 0.9486
194 LCN 0.9486
195 8TX 0.9485
196 BZX 0.9483
197 42A 0.9482
198 1XN 0.9481
199 ZZZ 0.9480
200 G5V 0.9479
201 4M0 0.9478
202 TH7 0.9475
203 2CK 0.9475
204 EA1 0.9472
205 M0W 0.9467
206 TTY 0.9467
207 KJH 0.9466
208 BHA 0.9466
209 N2I 0.9466
210 BCU 0.9466
211 ABV 0.9466
212 25W 0.9466
213 F05 0.9465
214 SHG 0.9464
215 KJY 0.9463
216 SVN 0.9461
217 L3Q 0.9459
218 9DG 0.9458
219 FDB 0.9456
220 HMH 0.9456
221 75K 0.9455
222 5OB 0.9455
223 IFL 0.9454
224 DRL 0.9453
225 3ID 0.9451
226 4Z4 0.9448
227 V55 0.9446
228 6M4 0.9445
229 5XC 0.9444
230 NQ 0.9444
231 GDE 0.9444
232 CLZ 0.9443
233 5H1 0.9442
234 SRO 0.9439
235 39O 0.9438
236 M1H 0.9438
237 RXA 0.9437
238 ASC 0.9437
239 DHK 0.9434
240 14O 0.9433
241 IGA 0.9433
242 LZM 0.9432
243 AZA 0.9432
244 5RO 0.9431
245 0RW 0.9430
246 F60 0.9429
247 KJU 0.9429
248 VNL 0.9428
249 5CU 0.9427
250 37T 0.9426
251 6AI 0.9423
252 DHB 0.9423
253 FBB 0.9420
254 BTE 0.9416
255 ZYR 0.9416
256 5MB 0.9414
257 BZ3 0.9414
258 CFP 0.9414
259 GUN 0.9414
260 NNO 0.9413
261 MYJ 0.9413
262 5JQ 0.9413
263 JUG 0.9412
264 NOY 0.9411
265 5MI 0.9408
266 WOO 0.9404
267 NOJ 0.9404
268 Q6T 0.9403
269 HPA 0.9403
270 VK3 0.9403
271 9EW 0.9402
272 4AA 0.9401
273 ADE 0.9401
274 XAN 0.9401
275 HLR 0.9400
276 SHA 0.9400
277 4ME 0.9399
278 2HO 0.9398
279 INO 0.9396
280 FHB 0.9396
281 7VJ 0.9396
282 ALL 0.9395
283 PQ0 0.9395
284 2H5 0.9394
285 7HP 0.9393
286 Q71 0.9393
287 1DW 0.9392
288 10L 0.9391
289 680 0.9391
290 TEP 0.9391
291 97T 0.9390
292 TGX 0.9389
293 2K4 0.9388
294 CFF 0.9387
295 5GU 0.9386
296 GLT 0.9385
297 6MP 0.9385
298 GXY 0.9384
299 JLZ 0.9384
300 LKA 0.9384
301 93K 0.9382
302 4A3 0.9382
303 B5D 0.9381
304 GM7 0.9380
305 G2F 0.9380
306 8IG 0.9379
307 ES9 0.9378
308 Q7A 0.9378
309 GJS 0.9377
310 7WA 0.9376
311 4HM 0.9376
312 XM0 0.9375
313 XXR 0.9375
314 8W9 0.9374
315 X05 0.9374
316 BP1 0.9374
317 J9Q 0.9373
318 DMD 0.9372
319 SAL 0.9372
320 11S 0.9371
321 FDR 0.9371
322 141 0.9370
323 QBK 0.9370
324 OA3 0.9369
325 G1O 0.9367
326 4MU 0.9366
327 KDV 0.9366
328 K2T 0.9366
329 AX7 0.9366
330 3HM 0.9364
331 C2U 0.9364
332 FK1 0.9363
333 3U4 0.9361
334 NIZ 0.9361
335 9R5 0.9360
336 173 0.9360
337 3MG 0.9358
338 BHO 0.9358
339 A2F 0.9357
340 15E 0.9357
341 VOH 0.9356
342 DNF 0.9355
343 7B3 0.9355
344 ISZ 0.9354
345 9DA 0.9352
346 AJY 0.9352
347 5WX 0.9352
348 P9P 0.9351
349 FYU 0.9351
350 HHA 0.9350
351 42C 0.9350
352 R9Y 0.9350
353 2MI 0.9348
354 DBX 0.9348
355 2BG 0.9348
356 A29 0.9347
357 5JL 0.9347
358 5RN 0.9347
359 ZVO 0.9346
360 6AP 0.9346
361 39A 0.9345
362 EUG 0.9345
363 GTR 0.9343
364 MXN 0.9343
365 270 0.9342
366 UAN 0.9342
367 9HX 0.9340
368 ICO 0.9340
369 9KT 0.9340
370 0JD 0.9337
371 7NI 0.9337
372 BE2 0.9336
373 MT5 0.9334
374 IPB 0.9333
375 MR1 0.9332
376 XIY 0.9331
377 CTS 0.9330
378 BSX 0.9329
379 F5B 0.9326
380 PFB 0.9326
381 HKD 0.9326
382 H4N 0.9324
383 290 0.9324
384 GRE 0.9322
385 VXX 0.9322
386 OXC 0.9321
387 LSA 0.9321
388 ORO 0.9321
389 INE 0.9321
390 AKH 0.9320
391 1WG 0.9319
392 JND 0.9319
393 2AL 0.9318
394 GZ8 0.9317
395 QAT 0.9316
396 GLA 0.9316
397 CHB 0.9315
398 CFI 0.9314
399 9TW 0.9313
400 36R 0.9313
401 LDP 0.9312
402 F9P 0.9311
403 JXN 0.9310
404 3R6 0.9309
405 GIO 0.9309
406 QAS 0.9308
407 P92 0.9308
408 ET2 0.9307
409 YH7 0.9307
410 CLW 0.9305
411 9FL 0.9303
412 AZG 0.9302
413 2A9 0.9297
414 NID 0.9297
415 ES4 0.9296
416 6F0 0.9296
417 PM6 0.9295
418 JBK 0.9295
419 209 0.9294
420 GCW 0.9293
421 20J 0.9293
422 ES2 0.9292
423 4CS 0.9292
424 XYP 0.9290
425 EYK 0.9289
426 DOR 0.9289
427 DX4 0.9288
428 ES6 0.9287
429 2LY 0.9287
430 FLV 0.9287
431 SKM 0.9287
432 1P8 0.9286
433 226 0.9284
434 EOL 0.9284
435 LNR 0.9284
436 7ME 0.9283
437 FBM 0.9282
438 293 0.9278
439 1XM 0.9278
440 LI6 0.9276
441 BOA 0.9274
442 7ZE 0.9273
443 2FG 0.9273
444 B53 0.9273
445 ADA 0.9272
446 PZI 0.9272
447 LXC 0.9271
448 8WO 0.9270
449 YQA 0.9269
450 PXM 0.9269
451 948 0.9268
452 82I 0.9267
453 3Z7 0.9267
454 1M2 0.9265
455 SJ5 0.9265
456 KOJ 0.9264
457 1PT 0.9264
458 2CQ 0.9263
459 I1E 0.9260
460 GAB 0.9260
461 5WY 0.9259
462 AFR 0.9259
463 4SV 0.9259
464 1KP 0.9258
465 I6G 0.9258
466 JG8 0.9258
467 Z5P 0.9257
468 JTH 0.9257
469 8GC 0.9256
470 D07 0.9255
471 1GN 0.9255
472 FH2 0.9255
473 SOE 0.9254
474 Q77 0.9254
475 H33 0.9252
476 92P 0.9252
477 6VD 0.9251
478 GYE 0.9251
479 BCP 0.9250
480 F9Y 0.9249
481 34D 0.9246
482 VGD 0.9245
483 QPR 0.9244
484 069 0.9243
485 150 0.9242
486 2ZQ 0.9242
487 2ZV 0.9241
488 FDK 0.9241
489 JKE 0.9240
490 5VM 0.9240
491 MS9 0.9240
492 GIV 0.9240
493 FGZ 0.9240
494 45L 0.9237
495 6M1 0.9236
496 ESI 0.9236
497 AW5 0.9235
498 IFM 0.9235
499 8NY 0.9233
500 EXO 0.9231
501 HIS 0.9231
502 EJZ 0.9230
503 HH5 0.9230
504 3OC 0.9230
505 AHR 0.9229
506 28N 0.9227
507 GVG 0.9226
508 3NT 0.9225
509 3HB 0.9225
510 BMA 0.9222
511 149 0.9222
512 JA8 0.9220
513 F12 0.9220
514 PEY 0.9219
515 RMN 0.9219
516 8H8 0.9219
517 UEG 0.9217
518 DEE 0.9215
519 GZL 0.9215
520 1IT 0.9214
521 K5W 0.9214
522 DIU 0.9213
523 1WD 0.9211
524 8OZ 0.9210
525 C2Y 0.9208
526 SMN 0.9205
527 3AB 0.9205
528 6RQ 0.9204
529 NTZ 0.9204
530 4XR 0.9203
531 15N 0.9201
532 6GU 0.9201
533 NPO 0.9199
534 2MN 0.9197
535 12B 0.9197
536 HMU 0.9196
537 94W 0.9195
538 4XV 0.9195
539 7MU 0.9194
540 9CA 0.9194
541 NMJ 0.9194
542 53C 0.9194
543 7WV 0.9193
544 23A 0.9193
545 GOX 0.9192
546 ISE 0.9191
547 FUL 0.9190
548 G4D 0.9188
549 JBE 0.9187
550 PA1 0.9186
551 3NY 0.9185
552 D1X 0.9184
553 DGJ 0.9184
554 INS 0.9184
555 DEN 0.9183
556 329 0.9183
557 0LH 0.9183
558 F31 0.9182
559 5HN 0.9180
560 CN0 0.9179
561 TPA 0.9179
562 6NT 0.9179
563 HA5 0.9178
564 DX3 0.9177
565 OVV 0.9177
566 45C 0.9176
567 7WR 0.9176
568 NSP 0.9176
569 0CU 0.9175
570 GAF 0.9175
571 0HN 0.9175
572 RAM 0.9175
573 FP1 0.9173
574 PHU 0.9172
575 JF2 0.9172
576 ZZT 0.9169
577 X6X 0.9169
578 XQG 0.9168
579 ROI 0.9168
580 M1E 0.9168
581 IHB 0.9168
582 0HO 0.9167
583 QWN 0.9167
584 BK9 0.9166
585 JYB 0.9165
586 MAN 0.9164
587 OXZ 0.9164
588 PHB 0.9164
589 PRZ 0.9162
590 2K8 0.9161
591 ODO 0.9161
592 E1T 0.9160
593 YSO 0.9160
594 L99 0.9158
595 TWO 0.9158
596 GLF 0.9157
597 HX3 0.9156
598 QSH 0.9155
599 2FY 0.9149
600 CH9 0.9149
601 C9E 0.9148
602 52C 0.9146
603 6PC 0.9146
604 24B 0.9144
605 9PY 0.9144
606 CWJ 0.9142
607 717 0.9142
608 BEZ 0.9142
609 EMZ 0.9141
610 M2K 0.9139
611 JXZ 0.9137
612 5NE 0.9135
613 9RW 0.9135
614 3RK 0.9134
615 NCA 0.9132
616 HDH 0.9131
617 2KA 0.9131
618 DMJ 0.9131
619 MCT 0.9131
620 NBZ 0.9130
621 YCP 0.9129
622 0FN 0.9128
623 BEN 0.9128
624 GT0 0.9127
625 J9T 0.9126
626 PX7 0.9126
627 NCT 0.9126
628 IND 0.9126
629 ADK 0.9126
630 NTM 0.9125
631 2ZM 0.9124
632 GXL 0.9124
633 261 0.9124
634 FBT 0.9123
635 WCE 0.9123
636 TT4 0.9123
637 TSS 0.9122
638 ZWZ 0.9122
639 VNJ 0.9121
640 SRT 0.9121
641 AC0 0.9120
642 PHT 0.9119
643 YIO 0.9119
644 TC7 0.9119
645 6NI 0.9117
646 3FH 0.9117
647 IDM 0.9116
648 SLS 0.9115
649 4XS 0.9114
650 23J 0.9114
651 XYL 0.9113
652 K3Q 0.9111
653 4ZC 0.9111
654 HBD 0.9110
655 3BZ 0.9109
656 3A9 0.9109
657 4ZE 0.9109
658 PHH 0.9108
659 3MB 0.9108
660 MWM 0.9107
661 1MC 0.9105
662 KIA 0.9104
663 KIB 0.9104
664 KBB 0.9103
665 OMD 0.9102
666 URF 0.9102
667 F4Z 0.9102
668 ZXD 0.9101
669 1F1 0.9101
670 BAM 0.9101
671 JZ9 0.9099
672 MIG 0.9099
673 PAB 0.9099
674 EN1 0.9097
675 HNQ 0.9096
676 4TU 0.9095
677 NIO 0.9095
678 KLW 0.9094
679 4P5 0.9093
680 BZI 0.9093
681 TH0 0.9093
682 2YU 0.9093
683 4KL 0.9092
684 H7Y 0.9092
685 2HU 0.9091
686 SYA 0.9091
687 4HO 0.9091
688 OVM 0.9088
689 5NI 0.9088
690 9FE 0.9087
691 3DM 0.9086
692 MZG 0.9086
693 XBZ 0.9085
694 UNU 0.9085
695 DNA 0.9084
696 X8D 0.9082
697 IF7 0.9082
698 9ZE 0.9081
699 MNM 0.9081
700 TDR 0.9081
701 1Y6 0.9081
702 275 0.9080
703 FA3 0.9080
704 BPU 0.9079
705 IFP 0.9079
706 43M 0.9079
707 18N 0.9078
708 MBG 0.9078
709 SS1 0.9078
710 WBU 0.9077
711 KTW 0.9077
712 G12 0.9077
713 BRT 0.9077
714 ABI 0.9076
715 RB5 0.9076
716 HHS 0.9075
717 AC6 0.9074
718 X0V 0.9074
719 2MP 0.9071
720 PYD 0.9071
721 NK 0.9070
722 2AC 0.9070
723 XYD 0.9069
724 34A 0.9069
725 BZF 0.9069
726 0XT 0.9067
727 6BL 0.9065
728 EKZ 0.9065
729 LZ1 0.9065
730 PZA 0.9064
731 4RU 0.9063
732 4JJ 0.9063
733 OAA 0.9063
734 EV0 0.9062
735 FAN 0.9061
736 QSC 0.9061
737 FA1 0.9061
738 QXW 0.9058
739 0R1 0.9058
740 NVU 0.9058
741 AZF 0.9057
742 HTP 0.9055
743 DQA 0.9055
744 S76 0.9053
745 JF1 0.9052
746 MFB 0.9052
747 JU2 0.9052
748 PBZ 0.9052
749 MPI 0.9051
750 PBA 0.9051
751 JAW 0.9051
752 5MH 0.9051
753 FBV 0.9050
754 HIO 0.9049
755 4CL 0.9049
756 BZ2 0.9048
757 MWJ 0.9048
758 ICP 0.9047
759 LYL 0.9047
760 5JC 0.9045
761 3MA 0.9044
762 GVH 0.9044
763 JZ2 0.9041
764 JXW 0.9039
765 RNS 0.9039
766 ZZ8 0.9038
767 TM7 0.9037
768 QOS 0.9036
769 PBC 0.9036
770 A1U 0.9036
771 1A7 0.9033
772 OTR 0.9032
773 4MA 0.9032
774 0F9 0.9032
775 1P3 0.9031
776 HQJ 0.9031
777 M58 0.9030
778 DIE 0.9030
779 XYS 0.9030
780 GJP 0.9029
781 8XQ 0.9029
782 BE7 0.9027
783 5WU 0.9027
784 H6B 0.9026
785 TBS 0.9025
786 826 0.9025
787 TAR 0.9024
788 0CT 0.9023
789 7D2 0.9023
790 GCV 0.9022
791 1U6 0.9022
792 CBF 0.9021
793 GIM 0.9019
794 30G 0.9017
795 BR9 0.9016
796 VGL 0.9015
797 QIC 0.9015
798 HT4 0.9015
799 H5B 0.9014
800 A13 0.9014
801 XX3 0.9013
802 NGO 0.9013
803 5UC 0.9012
804 GLY PRO 0.9012
805 V1T 0.9011
806 RPQ 0.9011
807 HFB 0.9011
808 1HN 0.9010
809 3SK 0.9009
810 AMG 0.9008
811 N2Z 0.9008
812 NTN 0.9007
813 QX2 0.9006
814 HBO 0.9006
815 ONR 0.9005
816 12T 0.9004
817 DFB 0.9002
818 ZB1 0.9002
819 2A7 0.9001
820 2LP 0.8999
821 JIF 0.8999
822 4VY 0.8998
823 BDF 0.8998
824 K32 0.8997
825 XXP 0.8996
826 BZJ 0.8995
827 E5X 0.8995
828 PAC 0.8994
829 FUF 0.8994
830 FUC 0.8993
831 PJW 0.8993
832 7MK 0.8993
833 7CZ 0.8992
834 6FZ 0.8991
835 27Y 0.8991
836 JFJ 0.8991
837 RAT 0.8990
838 PQK 0.8990
839 QWW 0.8989
840 M3H 0.8989
841 GTZ 0.8989
842 GOG 0.8988
843 4SX 0.8988
844 4JP 0.8988
845 3QV 0.8988
846 P3K 0.8987
847 BCF 0.8986
848 4P0 0.8986
849 5CL 0.8986
850 K17 0.8985
851 SVD 0.8985
852 0TR 0.8984
853 AIN 0.8984
854 61M 0.8982
855 UFV 0.8982
856 E7S 0.8982
857 X09 0.8980
858 SW7 0.8979
859 JZ3 0.8978
860 KFH 0.8977
861 ESP 0.8976
862 PHE 0.8976
863 0W1 0.8975
864 K34 0.8975
865 APG 0.8973
866 B2J 0.8972
867 BSP 0.8971
868 6LW 0.8971
869 H62 0.8971
870 I1N 0.8971
871 Z82 0.8971
872 06B 0.8970
873 4JO 0.8970
874 4WL 0.8969
875 2PG 0.8966
876 PIY 0.8964
877 AEZ 0.8961
878 2GS 0.8961
879 HA7 0.8959
880 FBG 0.8957
881 4FH 0.8956
882 091 0.8956
883 PDC 0.8955
884 L5V 0.8954
885 2HC 0.8954
886 BBF 0.8953
887 1QP 0.8952
888 8NX 0.8952
889 JB8 0.8951
890 LDR 0.8949
891 DE5 0.8948
892 2F6 0.8947
893 TLD 0.8947
894 DNC 0.8946
895 MLT 0.8946
896 GBD 0.8945
897 95Z 0.8945
898 PIM 0.8944
899 SWD 0.8943
900 FHN 0.8943
901 DQN 0.8941
902 GCO 0.8940
903 ABE 0.8939
904 51R 0.8937
905 F81 0.8934
906 L7T 0.8934
907 JDN 0.8934
908 FCB 0.8934
909 7N0 0.8934
910 0R0 0.8934
911 GV9 0.8933
912 PNZ 0.8932
913 344 0.8931
914 KYA 0.8931
915 TIY 0.8930
916 5VL 0.8930
917 0MK 0.8928
918 T6C 0.8928
919 OW4 0.8927
920 IBF 0.8926
921 GSY 0.8926
922 GNM 0.8926
923 DHR 0.8925
924 4ZA 0.8925
925 K22 0.8925
926 174 0.8924
927 XCZ 0.8924
928 E35 0.8924
929 RIP 0.8922
930 JFD 0.8922
931 AX3 0.8922
932 UQ 0.8921
933 27B 0.8920
934 RSF 0.8920
935 HBA 0.8920
936 XBT 0.8920
937 KTA 0.8919
938 MSN 0.8919
939 12M 0.8918
940 N7I 0.8918
941 MVL 0.8917
942 1XA 0.8917
943 KGK 0.8914
944 R9S 0.8913
945 ANN 0.8913
946 AP4 0.8912
947 M4E 0.8911
948 GAG 0.8908
949 ICB 0.8906
950 IT2 0.8906
951 3SL 0.8906
952 KYD 0.8905
953 ENL 0.8904
954 RSO 0.8904
955 FBU 0.8902
956 FB1 0.8902
957 LAO 0.8902
958 TYL 0.8902
959 J6W 0.8901
960 M4T 0.8899
961 IUR 0.8898
962 P72 0.8898
963 9AP 0.8896
964 7MH 0.8896
965 EGR 0.8895
966 OXQ 0.8893
967 PCI 0.8891
968 DFU 0.8890
969 Y8I 0.8890
970 XUL 0.8889
971 ARB 0.8887
972 F6P 0.8885
973 AL0 0.8885
974 GIF 0.8885
975 4VS 0.8885
976 IWT 0.8884
977 RUY 0.8883
978 4FA 0.8882
979 FBW 0.8880
980 B56 0.8880
981 4AN 0.8879
982 AY4 0.8879
983 RIB 0.8878
984 60P 0.8876
985 7MX 0.8876
986 5NS 0.8875
987 GHM 0.8874
988 LT8 0.8874
989 GTL 0.8874
990 GOO 0.8874
991 6QF 0.8873
992 N0Z 0.8873
993 A65 0.8872
994 FPY 0.8872
995 DYA 0.8872
996 ZZ3 0.8870
997 NAG 0.8870
998 FSW 0.8869
999 CXF 0.8869
1000 3XX 0.8869
1001 ESX 0.8868
1002 BPY 0.8867
1003 6XI 0.8862
1004 FUD 0.8861
1005 IDH 0.8861
1006 OK7 0.8860
1007 LZ2 0.8860
1008 1AL 0.8860
1009 II6 0.8860
1010 L5E 0.8860
1011 ASP 0.8860
1012 2CZ 0.8859
1013 AEF 0.8859
1014 QY9 0.8858
1015 GYP 0.8855
1016 8XL 0.8855
1017 K6X 0.8854
1018 Q02 0.8853
1019 QSB 0.8853
1020 FK8 0.8852
1021 KTJ 0.8852
1022 BNT 0.8850
1023 O2A 0.8849
1024 AN3 0.8849
1025 XDE 0.8848
1026 3TJ 0.8847
1027 AGK 0.8847
1028 4BZ 0.8843
1029 F3B 0.8842
1030 MJ2 0.8842
1031 1X7 0.8841
1032 JKZ 0.8840
1033 8MO 0.8840
1034 5TY 0.8839
1035 IAC 0.8839
1036 0BP 0.8838
1037 DHS 0.8838
1038 MSR 0.8838
1039 RM4 0.8836
1040 DHY 0.8836
1041 R8S 0.8836
1042 6TZ 0.8833
1043 PD2 0.8832
1044 OVP 0.8831
1045 FRU 0.8828
1046 EXD 0.8827
1047 260 0.8827
1048 OHP 0.8826
1049 6R8 0.8825
1050 HC4 0.8825
1051 HXX 0.8822
1052 YRL 0.8822
1053 2CL 0.8821
1054 ZBT 0.8820
1055 F1A 0.8818
1056 D3M 0.8818
1057 H4E 0.8817
1058 286 0.8816
1059 PAF 0.8816
1060 64K 0.8816
1061 3AL 0.8815
1062 4V6 0.8814
1063 AA 0.8813
1064 7VP 0.8813
1065 8G0 0.8812
1066 6KT 0.8812
1067 PEA 0.8811
1068 4TE 0.8810
1069 FCA 0.8807
1070 4VP 0.8802
1071 TAG 0.8802
1072 IOS 0.8797
1073 X0W 0.8796
1074 4NM 0.8796
1075 14J 0.8796
1076 HY3 0.8796
1077 2O6 0.8796
1078 FA6 0.8794
1079 1WC 0.8793
1080 J9N 0.8792
1081 F4E 0.8789
1082 PKU 0.8789
1083 TIU 0.8789
1084 6X9 0.8789
1085 MT8 0.8789
1086 64C 0.8787
1087 428 0.8786
1088 XXG 0.8785
1089 SAN 0.8785
1090 FCR 0.8781
1091 JR2 0.8781
1092 RHU 0.8780
1093 7I2 0.8775
1094 UNJ 0.8773
1095 2SX 0.8773
1096 MZB 0.8771
1097 3GQ 0.8770
1098 TFU 0.8768
1099 AMC 0.8767
1100 GO8 0.8766
1101 R8A 0.8766
1102 505 0.8764
1103 MHK 0.8762
1104 3BU 0.8761
1105 KP6 0.8761
1106 57O 0.8760
1107 PMB 0.8759
1108 E3D 0.8759
1109 F69 0.8758
1110 68A 0.8757
1111 CCV 0.8756
1112 IUP 0.8756
1113 F2W 0.8756
1114 ANF 0.8751
1115 FQI 0.8750
1116 AAS 0.8750
1117 N7P 0.8749
1118 K8X 0.8746
1119 NHG 0.8745
1120 FLC 0.8745
1121 JZ4 0.8744
1122 FB2 0.8744
1123 APS 0.8741
1124 JP2 0.8740
1125 FBA 0.8739
1126 SG2 0.8738
1127 PRY 0.8738
1128 NBG 0.8737
1129 M5N 0.8736
1130 3J8 0.8735
1131 259 0.8735
1132 SF9 0.8733
1133 VC2 0.8731
1134 TBP 0.8731
1135 TSU 0.8730
1136 W81 0.8729
1137 L22 0.8726
1138 H8N 0.8726
1139 CK2 0.8724
1140 R20 0.8724
1141 LMR 0.8724
1142 CPZ 0.8723
1143 FHC 0.8723
1144 MFU 0.8722
1145 NDG 0.8721
1146 692 0.8721
1147 3C1 0.8720
1148 BPN 0.8719
1149 LRH 0.8719
1150 537 0.8717
1151 QBM 0.8716
1152 8GK 0.8715
1153 CXP 0.8715
1154 FBS 0.8714
1155 6OT 0.8713
1156 SR1 0.8713
1157 39U 0.8709
1158 NK2 0.8709
1159 HX4 0.8708
1160 ANC 0.8707
1161 THA 0.8707
1162 DRG 0.8706
1163 ARP 0.8706
1164 URQ 0.8704
1165 SNU 0.8703
1166 QMP 0.8703
1167 MMA 0.8703
1168 JZ1 0.8701
1169 3C2 0.8700
1170 TZF 0.8696
1171 GF4 0.8694
1172 M45 0.8693
1173 42J 0.8693
1174 K37 0.8691
1175 J01 0.8683
1176 X0U 0.8682
1177 RJY 0.8679
1178 3ZB 0.8679
1179 4V2 0.8677
1180 IBM 0.8676
1181 ARA 0.8676
1182 J1Z 0.8675
1183 PYG 0.8672
1184 N8P 0.8671
1185 4JM 0.8671
1186 4BL 0.8669
1187 FPK 0.8668
1188 NEQ 0.8665
1189 RD4 0.8664
1190 BNL 0.8664
1191 1L5 0.8664
1192 6E8 0.8663
1193 49O 0.8662
1194 DPT 0.8660
1195 4J8 0.8658
1196 HCI 0.8653
1197 HDL 0.8648
1198 A09 0.8647
1199 NCD 0.8645
1200 QNA 0.8645
1201 FLM 0.8640
1202 GMN 0.8640
1203 1DV 0.8638
1204 KW8 0.8638
1205 SYN 0.8634
1206 IPZ 0.8632
1207 4BY 0.8630
1208 R6T 0.8630
1209 3CE 0.8627
1210 3R9 0.8627
1211 NLA 0.8625
1212 CGB 0.8624
1213 MQB 0.8623
1214 HBX 0.8620
1215 3FA 0.8618
1216 MBD 0.8615
1217 MAJ 0.8615
1218 HLD 0.8614
1219 FFP 0.8613
1220 DUB 0.8613
1221 ABN 0.8612
1222 WOT 0.8610
1223 3MC 0.8608
1224 36E 0.8607
1225 4A5 0.8607
1226 KJ5 0.8602
1227 SFU 0.8600
1228 9LI 0.8600
1229 MPV 0.8600
1230 2MY 0.8599
1231 PY7 0.8599
1232 BNF 0.8598
1233 2C9 0.8595
1234 6MH 0.8590
1235 I3E 0.8590
1236 C21 0.8589
1237 N1E 0.8586
1238 2CM 0.8584
1239 ZME 0.8584
1240 SKF 0.8581
1241 PFL 0.8581
1242 282 0.8580
1243 5LA 0.8579
1244 PYF 0.8579
1245 YTB 0.8578
1246 WSD 0.8576
1247 4NO 0.8576
1248 OGA 0.8574
1249 CKA 0.8573
1250 SMV 0.8571
1251 PPY 0.8568
1252 PEL 0.8567
1253 36Y 0.8565
1254 SN4 0.8560
1255 GO2 0.8554
1256 3QM 0.8552
1257 TP5 0.8550
1258 URP 0.8549
1259 XQK 0.8543
1260 C2B 0.8542
1261 4JL 0.8541
1262 265 0.8533
1263 CIT 0.8523
1264 3MH 0.8520
1265 4PW 0.8506
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
APoc FAQ
Feedback