Receptor
PDB id Resolution Class Description Source Keywords
4YRO 2.5 Å EC: 6.1.1.21 CRYSTAL STRUCTURE OF T. CRUZI HISTIDYL-TRNA SYNTHETASE IN CO 5-BROMO-6-METHYLPYRIDIN-2-AMINE (CHEM 491) 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
SO4 A:507;
A:506;
A:505;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
DMS A:509;
A:508;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
EDO A:503;
A:504;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
4JO A:502;
 Valid;
 none;
 submit data
187.037 C6 H7 Br N2 Cc1c(...
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: 4JO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4JO 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4JO; Similar ligands found: 938
No: Ligand Similarity coefficient
1 TH0 1.0000
2 43M 1.0000
3 5UC 1.0000
4 5MH 0.9990
5 TDR 0.9985
6 IUR 0.9985
7 ICP 0.9975
8 XYD 0.9973
9 PYD 0.9967
10 275 0.9965
11 TLD 0.9961
12 2MP 0.9955
13 34A 0.9950
14 URF 0.9948
15 1MC 0.9944
16 XBZ 0.9941
17 JZ2 0.9927
18 MWM 0.9919
19 A1U 0.9912
20 WBU 0.9911
21 MCT 0.9907
22 2AC 0.9903
23 4ZE 0.9898
24 QOS 0.9889
25 MZG 0.9888
26 4JJ 0.9878
27 HT4 0.9872
28 MWJ 0.9854
29 2YU 0.9853
30 5JC 0.9841
31 4CL 0.9840
32 BR9 0.9839
33 4HO 0.9838
34 TM7 0.9834
35 XYP 0.9833
36 IDH 0.9820
37 LXC 0.9820
38 27Y 0.9790
39 Y8I 0.9771
40 3ZQ 0.9770
41 8H8 0.9749
42 NSP 0.9732
43 HMH 0.9721
44 40O 0.9701
45 FYU 0.9698
46 OXE 0.9679
47 ZZT 0.9673
48 4XR 0.9671
49 4JU 0.9670
50 AHR 0.9660
51 4HS 0.9658
52 JFD 0.9654
53 BML 0.9652
54 2CH 0.9652
55 2MH 0.9651
56 24B 0.9646
57 FPY 0.9646
58 CAQ 0.9642
59 1PT 0.9637
60 HTS 0.9628
61 6X8 0.9624
62 2CQ 0.9624
63 45C 0.9617
64 XYS 0.9612
65 4CH 0.9611
66 RCO 0.9611
67 PCR 0.9610
68 938 0.9608
69 7CZ 0.9608
70 25R 0.9607
71 YAN 0.9606
72 PXY 0.9606
73 LG4 0.9606
74 3Z7 0.9605
75 L89 0.9605
76 TC7 0.9603
77 BEW 0.9601
78 LG3 0.9601
79 93Q 0.9598
80 CYT 0.9598
81 HQE 0.9596
82 URA 0.9591
83 150 0.9589
84 2AF 0.9588
85 CRS 0.9585
86 RIP 0.9585
87 26D 0.9583
88 IOL 0.9582
89 F4Z 0.9574
90 4JN 0.9573
91 LG5 0.9573
92 1AN 0.9556
93 92Z 0.9555
94 76X 0.9552
95 8LG 0.9552
96 JZ3 0.9552
97 1DW 0.9548
98 NK 0.9546
99 284 0.9542
100 JIF 0.9539
101 3CH 0.9539
102 1WG 0.9538
103 HX3 0.9535
104 FP2 0.9532
105 PLQ 0.9532
106 0R0 0.9532
107 0MK 0.9528
108 FUL 0.9526
109 HMU 0.9520
110 FUC 0.9519
111 8GF 0.9518
112 TH7 0.9515
113 TMZ 0.9513
114 DA1 0.9510
115 BVF 0.9505
116 F81 0.9498
117 FPN 0.9498
118 T6C 0.9497
119 285 0.9492
120 4XX 0.9490
121 7MH 0.9484
122 0TR 0.9472
123 DUC 0.9472
124 RSF 0.9472
125 4H2 0.9467
126 TMT 0.9466
127 DFU 0.9462
128 HBA 0.9445
129 CIG 0.9444
130 PYG 0.9440
131 6AI 0.9421
132 4ZC 0.9419
133 ADE 0.9416
134 ARB 0.9411
135 M3T 0.9410
136 10L 0.9409
137 6MP 0.9404
138 H3M 0.9402
139 FK1 0.9401
140 G6D 0.9400
141 ES9 0.9400
142 9DA 0.9399
143 BZX 0.9394
144 25W 0.9393
145 7WA 0.9392
146 M1A 0.9392
147 H4N 0.9391
148 B3R 0.9390
149 B53 0.9382
150 HEW 0.9381
151 BTE 0.9379
152 ABE 0.9375
153 7HP 0.9374
154 GLC 0.9374
155 5MI 0.9371
156 3XX 0.9370
157 11S 0.9368
158 8NY 0.9367
159 9HX 0.9366
160 5MB 0.9363
161 F05 0.9363
162 ES4 0.9361
163 HPA 0.9361
164 JAE 0.9359
165 PM6 0.9356
166 PHB 0.9355
167 CXL 0.9354
168 3MC 0.9352
169 BZI 0.9352
170 23A 0.9351
171 BZF 0.9346
172 HGQ 0.9342
173 F60 0.9341
174 DEN 0.9341
175 6MH 0.9341
176 FCA 0.9340
177 2K4 0.9337
178 1XX 0.9335
179 JZ1 0.9333
180 14O 0.9332
181 KOJ 0.9332
182 3CE 0.9329
183 2CM 0.9329
184 5H1 0.9328
185 FPI 0.9326
186 2MY 0.9326
187 ADZ 0.9324
188 67N 0.9324
189 GVH 0.9324
190 0CT 0.9323
191 IND 0.9323
192 3FA 0.9322
193 CYH 0.9321
194 0R1 0.9320
195 MBD 0.9320
196 XXR 0.9320
197 286 0.9319
198 4VP 0.9318
199 HPY 0.9318
200 TBP 0.9317
201 2C9 0.9314
202 4JL 0.9314
203 7W4 0.9313
204 0RW 0.9311
205 FFP 0.9310
206 7B4 0.9310
207 BP1 0.9308
208 GMN 0.9307
209 3AY 0.9305
210 SVN 0.9304
211 H8N 0.9301
212 2A9 0.9300
213 MPI 0.9298
214 XQ0 0.9298
215 F0J 0.9297
216 LZ1 0.9297
217 5NU 0.9293
218 NOJ 0.9291
219 FLM 0.9287
220 QWN 0.9286
221 C2B 0.9286
222 AX2 0.9285
223 HAI 0.9284
224 AMC 0.9279
225 J1Z 0.9276
226 DUB 0.9275
227 V1L 0.9273
228 9EW 0.9272
229 G2F 0.9271
230 6M9 0.9271
231 KKN 0.9271
232 3MH 0.9270
233 ECE 0.9270
234 GBD 0.9268
235 282 0.9268
236 3M0 0.9266
237 ISN 0.9264
238 ES0 0.9256
239 CWM 0.9255
240 F5B 0.9252
241 3DM 0.9251
242 RIB 0.9250
243 270 0.9247
244 IDM 0.9247
245 FBA 0.9244
246 5AN 0.9243
247 JAB 0.9243
248 IT2 0.9243
249 G3F 0.9242
250 FUF 0.9241
251 DBH 0.9241
252 HHQ 0.9240
253 5WV 0.9240
254 KIV 0.9240
255 IPH 0.9239
256 V55 0.9237
257 ERH 0.9236
258 BCP 0.9232
259 3HA 0.9232
260 5ZE 0.9231
261 DFB 0.9231
262 AX7 0.9230
263 QXW 0.9229
264 2IM 0.9228
265 RAM 0.9228
266 DXX 0.9227
267 1XM 0.9227
268 HBX 0.9227
269 OXQ 0.9226
270 BGC 0.9225
271 6UA 0.9225
272 9DG 0.9224
273 4M4 0.9224
274 BOA 0.9222
275 GAG 0.9221
276 DTU 0.9220
277 6M4 0.9219
278 3F0 0.9219
279 4JM 0.9219
280 13X 0.9218
281 QUZ 0.9218
282 Q88 0.9214
283 6HQ 0.9214
284 MBN 0.9214
285 IFL 0.9212
286 GCS 0.9211
287 NOY 0.9211
288 HLR 0.9211
289 WDL 0.9211
290 DGJ 0.9208
291 FCB 0.9208
292 SAL 0.9207
293 BR8 0.9207
294 1DH 0.9207
295 94N 0.9207
296 AZA 0.9206
297 MLT 0.9204
298 ES7 0.9203
299 HRZ 0.9202
300 SYN 0.9201
301 2DR 0.9200
302 6AP 0.9199
303 ABN 0.9197
304 23W 0.9197
305 2AP 0.9196
306 HVK 0.9196
307 82I 0.9196
308 EXO 0.9196
309 WOT 0.9195
310 YH7 0.9194
311 2ZX 0.9191
312 NPY 0.9189
313 JZ9 0.9189
314 NBZ 0.9188
315 3AP 0.9187
316 MNM 0.9187
317 64K 0.9186
318 4AP 0.9185
319 A2F 0.9184
320 YCP 0.9184
321 DTI 0.9183
322 GUN 0.9183
323 BEZ 0.9182
324 VAL 0.9181
325 XAN 0.9181
326 M58 0.9181
327 YHO 0.9179
328 5AC 0.9178
329 290 0.9178
330 HIU 0.9178
331 4JP 0.9177
332 ABV 0.9177
333 FA0 0.9177
334 2MI 0.9176
335 ICC 0.9176
336 9X7 0.9176
337 8S0 0.9175
338 280 0.9172
339 HY3 0.9170
340 CFP 0.9170
341 NEQ 0.9170
342 5CU 0.9169
343 BHA 0.9169
344 5Q0 0.9166
345 AZG 0.9163
346 LMR 0.9163
347 LGA 0.9162
348 HQY 0.9161
349 4M0 0.9160
350 IGA 0.9160
351 25T 0.9159
352 XM0 0.9159
353 24T 0.9158
354 0CU 0.9158
355 P92 0.9157
356 GXE 0.9156
357 ADK 0.9153
358 DMD 0.9153
359 141 0.9152
360 JZ0 0.9151
361 MAK 0.9151
362 R2B 0.9150
363 ES1 0.9149
364 TM4 0.9148
365 5SG 0.9147
366 3RK 0.9146
367 9PO 0.9146
368 DOB 0.9146
369 5IQ 0.9146
370 8CL 0.9144
371 DGY 0.9144
372 RM4 0.9143
373 CYS 0.9142
374 OHG 0.9140
375 GYE 0.9138
376 ARA 0.9137
377 1AB 0.9136
378 A2Q 0.9135
379 5RG 0.9135
380 AZF 0.9135
381 SOE 0.9133
382 KSW 0.9132
383 NCA 0.9131
384 MMZ 0.9131
385 ASO 0.9130
386 24W 0.9130
387 2D0 0.9129
388 1LQ 0.9128
389 36R 0.9125
390 1SQ 0.9124
391 03V 0.9124
392 FDB 0.9123
393 PIH 0.9123
394 YTB 0.9123
395 XBT 0.9122
396 IFM 0.9122
397 6CS 0.9122
398 TTO 0.9120
399 2KT 0.9120
400 3U4 0.9119
401 UEG 0.9118
402 PY7 0.9115
403 DX4 0.9114
404 IPB 0.9113
405 ES6 0.9111
406 C2A 0.9111
407 BEN 0.9111
408 7VJ 0.9110
409 2CK 0.9110
410 GAL 0.9109
411 6PC 0.9109
412 4SV 0.9109
413 1P7 0.9107
414 EUG 0.9106
415 HH5 0.9106
416 MB3 0.9106
417 DTL 0.9103
418 4XH 0.9100
419 PYF 0.9100
420 1NP 0.9099
421 4HM 0.9099
422 HH8 0.9099
423 N5J 0.9098
424 60P 0.9098
425 9TZ 0.9098
426 LDU 0.9097
427 BE2 0.9096
428 TZC 0.9096
429 4YS 0.9096
430 JPZ 0.9095
431 OXZ 0.9094
432 5VM 0.9093
433 OAA 0.9092
434 CEJ 0.9091
435 R8A 0.9091
436 CLW 0.9090
437 1WD 0.9089
438 3MA 0.9089
439 1MR 0.9087
440 NMJ 0.9086
441 H42 0.9085
442 KJY 0.9085
443 EDG 0.9085
444 RP7 0.9080
445 PYC 0.9079
446 FOA 0.9077
447 2AQ 0.9076
448 S76 0.9074
449 G4D 0.9074
450 3DO 0.9074
451 COU 0.9073
452 GTQ 0.9073
453 RM1 0.9073
454 VGD 0.9072
455 14J 0.9072
456 PRO 0.9070
457 3ID 0.9070
458 260 0.9070
459 PXM 0.9069
460 RNS 0.9069
461 DSN 0.9068
462 GOO 0.9067
463 SWD 0.9067
464 1P8 0.9067
465 HSL 0.9066
466 GXY 0.9064
467 4NC 0.9064
468 PXL 0.9064
469 HGW 0.9063
470 4FS 0.9062
471 TCZ 0.9062
472 JBN 0.9062
473 MYJ 0.9061
474 TP5 0.9060
475 2PC 0.9060
476 2XX 0.9058
477 E60 0.9058
478 MFB 0.9057
479 PZA 0.9056
480 JKE 0.9054
481 BAM 0.9054
482 JB5 0.9053
483 KG7 0.9050
484 7EX 0.9050
485 HYN 0.9049
486 ES5 0.9047
487 ET2 0.9047
488 MRY 0.9042
489 1XN 0.9041
490 5CL 0.9040
491 P9P 0.9040
492 EQT 0.9038
493 VNJ 0.9038
494 LCN 0.9036
495 47J 0.9035
496 HHN 0.9035
497 DMI 0.9035
498 VGL 0.9034
499 2EC 0.9034
500 URC 0.9033
501 5M0 0.9033
502 7HQ 0.9031
503 PBC 0.9030
504 Z82 0.9029
505 DAB 0.9028
506 2A7 0.9027
507 7WV 0.9026
508 BP9 0.9025
509 DMG 0.9024
510 I3A 0.9023
511 K2T 0.9021
512 NIO 0.9021
513 3SK 0.9020
514 4CS 0.9020
515 DHB 0.9019
516 SER 0.9018
517 NBE 0.9017
518 8GC 0.9017
519 FQI 0.9016
520 LZM 0.9014
521 HSE 0.9012
522 B55 0.9011
523 QSC 0.9010
524 OCH 0.9009
525 PCA 0.9009
526 ES2 0.9008
527 QX2 0.9008
528 BTY 0.9008
529 FBB 0.9007
530 APY 0.9006
531 Z6J 0.9005
532 42A 0.9005
533 P3K 0.9005
534 XAZ 0.9003
535 FP1 0.9003
536 NPO 0.9002
537 NTN 0.9001
538 L3Q 0.8999
539 ISE 0.8998
540 QWW 0.8997
541 273 0.8997
542 SS1 0.8994
543 WOO 0.8993
544 GLA 0.8992
545 FHB 0.8991
546 3HM 0.8991
547 75K 0.8991
548 35C 0.8990
549 MLI 0.8990
550 MSN 0.8988
551 VNL 0.8987
552 12M 0.8987
553 5JQ 0.8987
554 R8S 0.8986
555 93K 0.8985
556 C5J 0.8984
557 UNU 0.8981
558 HHA 0.8980
559 JLZ 0.8979
560 ALL 0.8977
561 MLA 0.8976
562 6LW 0.8975
563 4A3 0.8974
564 B57 0.8971
565 54G 0.8971
566 MZW 0.8971
567 GIO 0.8971
568 9TY 0.8970
569 0P6 0.8970
570 XIX 0.8969
571 L60 0.8968
572 IF7 0.8968
573 3PY 0.8967
574 SX1 0.8964
575 5B1 0.8963
576 5JL 0.8962
577 LRH 0.8962
578 2HO 0.8961
579 MR1 0.8961
580 LGC 0.8960
581 PYJ 0.8960
582 KYD 0.8960
583 3NT 0.8960
584 8TX 0.8958
585 AC0 0.8957
586 PAB 0.8956
587 ALO 0.8955
588 INO 0.8954
589 5XC 0.8953
590 93B 0.8952
591 WCE 0.8951
592 86J 0.8950
593 NNO 0.8949
594 INS 0.8948
595 RHU 0.8947
596 CHB 0.8946
597 PE0 0.8945
598 717 0.8941
599 0W8 0.8940
600 BSX 0.8939
601 5OB 0.8939
602 8WO 0.8938
603 JBE 0.8936
604 6GU 0.8935
605 RSO 0.8933
606 CRN 0.8933
607 BZ3 0.8933
608 XX2 0.8933
609 TAR 0.8932
610 8CM 0.8931
611 KT7 0.8930
612 Q24 0.8928
613 ZBT 0.8927
614 261 0.8927
615 9CL 0.8926
616 174 0.8926
617 2H5 0.8926
618 BCF 0.8925
619 X6X 0.8923
620 AZ8 0.8923
621 1DU 0.8922
622 3AB 0.8921
623 278 0.8921
624 O7U 0.8920
625 NVI 0.8919
626 H76 0.8917
627 3HB 0.8917
628 M5K 0.8917
629 5HN 0.8916
630 9TW 0.8916
631 BBF 0.8915
632 DIE 0.8914
633 HBD 0.8913
634 39A 0.8913
635 265 0.8912
636 XQG 0.8912
637 OVV 0.8912
638 F9Y 0.8910
639 IBF 0.8910
640 IHB 0.8909
641 3BZ 0.8909
642 5MK 0.8908
643 GAB 0.8906
644 BRT 0.8906
645 8IG 0.8904
646 A65 0.8904
647 XUL 0.8903
648 MEW 0.8903
649 THR 0.8902
650 149 0.8902
651 GIV 0.8901
652 4AX 0.8900
653 GRE 0.8899
654 PZM 0.8897
655 6F0 0.8897
656 2ZV 0.8897
657 KUF 0.8896
658 4AA 0.8896
659 URP 0.8895
660 PAF 0.8895
661 YIO 0.8895
662 AQO 0.8894
663 9MG 0.8894
664 JBK 0.8892
665 CIZ 0.8892
666 IP0 0.8891
667 2FG 0.8889
668 1Y6 0.8888
669 BHO 0.8888
670 FAN 0.8887
671 URQ 0.8884
672 SEJ 0.8882
673 M2H 0.8880
674 C21 0.8879
675 TFB 0.8877
676 ABA 0.8876
677 CWS 0.8876
678 KIB 0.8875
679 MZ0 0.8874
680 E7Z 0.8873
681 4MA 0.8871
682 JBH 0.8870
683 32X 0.8870
684 GXL 0.8868
685 F3B 0.8867
686 2HQ 0.8867
687 7W1 0.8865
688 FLA 0.8865
689 1GN 0.8863
690 SHG 0.8863
691 IMR 0.8863
692 AGK 0.8861
693 HFB 0.8859
694 SW7 0.8857
695 53C 0.8857
696 VOH 0.8855
697 MAE 0.8854
698 BMA 0.8854
699 DIU 0.8852
700 3OC 0.8852
701 R1X 0.8851
702 1LM 0.8851
703 LDP 0.8849
704 826 0.8848
705 P2D 0.8847
706 GIF 0.8847
707 BVC 0.8846
708 PBZ 0.8844
709 M1Q 0.8843
710 MAN 0.8842
711 ASP 0.8842
712 1P3 0.8842
713 FPK 0.8839
714 6M1 0.8837
715 ILE 0.8836
716 AJ2 0.8836
717 XRG 0.8835
718 4FA 0.8835
719 4PW 0.8834
720 PFB 0.8833
721 JZ4 0.8833
722 42J 0.8833
723 2RA 0.8831
724 PRY 0.8830
725 2LP 0.8830
726 ITN 0.8830
727 NIZ 0.8829
728 PA1 0.8829
729 DBB 0.8829
730 AC6 0.8827
731 XIY 0.8826
732 5QX 0.8825
733 ASN 0.8824
734 IV2 0.8823
735 4HC 0.8821
736 4Z4 0.8820
737 LER 0.8820
738 DQN 0.8819
739 P72 0.8819
740 4JT 0.8819
741 HXX 0.8818
742 GAF 0.8817
743 G5V 0.8814
744 FUB 0.8813
745 B24 0.8811
746 HJP 0.8810
747 ZZ3 0.8809
748 PCI 0.8809
749 SWA 0.8808
750 DRL 0.8808
751 MQN 0.8807
752 A7W 0.8807
753 RUU 0.8807
754 DHK 0.8806
755 12Q 0.8803
756 TTL 0.8799
757 C2U 0.8798
758 7WG 0.8796
759 FRU 0.8795
760 HQT 0.8794
761 SKA 0.8793
762 FOT 0.8792
763 UNC 0.8792
764 AUD 0.8791
765 MO8 0.8791
766 ISZ 0.8791
767 DHQ 0.8788
768 EKZ 0.8783
769 4JQ 0.8782
770 MBG 0.8782
771 PKU 0.8781
772 CGB 0.8780
773 PQ0 0.8780
774 O72 0.8780
775 SMV 0.8776
776 GLU 0.8776
777 4YO 0.8774
778 3WA 0.8773
779 JFJ 0.8772
780 3Z8 0.8771
781 XHP 0.8770
782 1LN 0.8769
783 HIO 0.8762
784 J9W 0.8761
785 TLA 0.8756
786 BDP 0.8753
787 MRW 0.8752
788 KJH 0.8751
789 5WX 0.8751
790 OXC 0.8750
791 0TU 0.8750
792 JBQ 0.8745
793 KPL 0.8744
794 DIN 0.8743
795 1M2 0.8742
796 SS2 0.8740
797 NXA 0.8740
798 DYA 0.8738
799 SRT 0.8738
800 BVG 0.8738
801 IJZ 0.8737
802 MT0 0.8736
803 M6N 0.8735
804 4XV 0.8733
805 3V4 0.8733
806 NDM 0.8728
807 FDK 0.8727
808 G3E 0.8722
809 192 0.8721
810 KP6 0.8718
811 8WT 0.8716
812 MUA 0.8715
813 DMJ 0.8710
814 HZQ 0.8704
815 40E 0.8702
816 RB5 0.8702
817 PNZ 0.8701
818 BAQ 0.8699
819 SR1 0.8697
820 OTW 0.8696
821 LT2 0.8693
822 5RN 0.8692
823 M0Q 0.8692
824 TZE 0.8690
825 3MT 0.8690
826 DOR 0.8690
827 1AC 0.8688
828 69O 0.8686
829 AEF 0.8686
830 44W 0.8684
831 948 0.8683
832 FBM 0.8682
833 GLF 0.8681
834 DBJ 0.8681
835 ORO 0.8681
836 32O 0.8681
837 9YL 0.8681
838 HLZ 0.8680
839 KBG 0.8680
840 DQU 0.8679
841 IPZ 0.8679
842 PZI 0.8677
843 DHR 0.8677
844 AMT 0.8676
845 4XS 0.8676
846 7MU 0.8676
847 5RO 0.8674
848 YRL 0.8674
849 ZXD 0.8674
850 7VS 0.8672
851 I1N 0.8669
852 3PF 0.8668
853 DPR 0.8668
854 DCY 0.8667
855 94B 0.8666
856 E5X 0.8665
857 B62 0.8665
858 SJ5 0.8665
859 3SL 0.8663
860 UY7 0.8662
861 MWP 0.8662
862 BDF 0.8662
863 AFR 0.8661
864 JZ5 0.8661
865 0JD 0.8660
866 PRF 0.8660
867 FH2 0.8660
868 2AK 0.8660
869 2BG 0.8659
870 MRZ 0.8659
871 ARW 0.8658
872 34D 0.8657
873 F31 0.8657
874 GDE 0.8655
875 AAE 0.8654
876 6RQ 0.8653
877 95Z 0.8652
878 AW5 0.8651
879 TEP 0.8650
880 2MN 0.8648
881 EA1 0.8648
882 6KX 0.8647
883 IFP 0.8647
884 PBR 0.8645
885 0FO 0.8645
886 BNS 0.8645
887 PYQ 0.8641
888 PBE 0.8641
889 HYP 0.8637
890 AKB 0.8634
891 CFI 0.8634
892 J5I 0.8633
893 2FY 0.8629
894 SE2 0.8628
895 4NM 0.8626
896 SIN 0.8626
897 495 0.8626
898 FBV 0.8625
899 TFU 0.8625
900 ANN 0.8623
901 SHA 0.8623
902 MVN 0.8622
903 Q6T 0.8618
904 GLT 0.8615
905 680 0.8613
906 8ZE 0.8613
907 37T 0.8607
908 7NI 0.8607
909 3FH 0.8606
910 42C 0.8605
911 RBL 0.8604
912 HCS 0.8604
913 F9P 0.8602
914 D48 0.8599
915 259 0.8598
916 M1E 0.8597
917 FGZ 0.8596
918 ODO 0.8594
919 QBK 0.8592
920 OK7 0.8591
921 SYV 0.8590
922 2GS 0.8588
923 D1X 0.8587
924 JA8 0.8585
925 TGX 0.8579
926 BAE 0.8576
927 ICO 0.8574
928 XYL 0.8573
929 NTM 0.8569
930 EYK 0.8562
931 LFR 0.8560
932 DBX 0.8554
933 YSO 0.8553
934 K17 0.8551
935 SF9 0.8551
936 MFU 0.8550
937 0FN 0.8548
938 NQ 0.8545
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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