Receptor
PDB id Resolution Class Description Source Keywords
4YRK 2.2 Å EC: 6.1.1.21 CRYSTAL STRUCTURE OF T. CRUZI HISTIDYL-TRNA SYNTHETASE IN CO (4-CHLOROPHENYL)METHANOL (CHEM 260) 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 B:507;
A:508;
B:506;
A:507;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
SO4 A:506;
B:505;
B:504;
A:505;
A:504;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
EDO A:503;
B:503;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
4JL A:502;
B:502;
 Valid;
Valid;
 none;
none;
 submit data
142.583 C7 H7 Cl O c1cc(...
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: 4JL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 4JL 1 1
2 4CH 0.4 0.631579
Similar Ligands (3D)
Ligand no: 1; Ligand: 4JL; Similar ligands found: 964
No: Ligand Similarity coefficient
1 C2B 0.9988
2 HBA 0.9967
3 FBA 0.9963
4 4JM 0.9872
5 4VP 0.9830
6 BML 0.9721
7 H8N 0.9700
8 4FA 0.9698
9 YRL 0.9695
10 AEF 0.9681
11 PZM 0.9674
12 Z82 0.9671
13 PHB 0.9670
14 PAB 0.9658
15 NPO 0.9650
16 AC6 0.9626
17 NSP 0.9621
18 4JU 0.9620
19 BP9 0.9618
20 HBD 0.9608
21 P72 0.9608
22 HMH 0.9606
23 4MA 0.9604
24 RBJ 0.9600
25 SYN 0.9597
26 ABN 0.9584
27 1Y6 0.9584
28 PXY 0.9582
29 PBZ 0.9581
30 ZZT 0.9577
31 2MH 0.9575
32 PY7 0.9575
33 24B 0.9566
34 B24 0.9554
35 HQE 0.9547
36 HMU 0.9546
37 OHG 0.9546
38 717 0.9540
39 8H8 0.9538
40 LG4 0.9538
41 25R 0.9537
42 PCR 0.9532
43 4JN 0.9531
44 4XR 0.9530
45 4HS 0.9528
46 HBX 0.9526
47 PYJ 0.9525
48 DHR 0.9522
49 DA1 0.9516
50 APY 0.9515
51 SW7 0.9514
52 7A8 0.9511
53 PLQ 0.9500
54 FPN 0.9498
55 9CL 0.9497
56 EDG 0.9495
57 TH7 0.9494
58 KOJ 0.9482
59 FYU 0.9479
60 IOL 0.9477
61 PYF 0.9475
62 R2B 0.9473
63 1MR 0.9455
64 PEA 0.9448
65 1AB 0.9447
66 AMC 0.9446
67 NBE 0.9444
68 HX3 0.9432
69 BEZ 0.9427
70 282 0.9427
71 EHM 0.9420
72 PEL 0.9419
73 6PC 0.9414
74 RSO 0.9403
75 NCA 0.9400
76 NIO 0.9396
77 FPI 0.9395
78 HY1 0.9395
79 1MC 0.9393
80 JZ7 0.9391
81 QSC 0.9388
82 M58 0.9387
83 BAM 0.9384
84 CEE 0.9381
85 5MH 0.9376
86 174 0.9371
87 SN4 0.9368
88 BEN 0.9366
89 TH0 0.9365
90 CXF 0.9363
91 ANN 0.9361
92 AMH 0.9361
93 BNS 0.9359
94 9X7 0.9351
95 NK 0.9351
96 2YU 0.9349
97 XM0 0.9347
98 BHA 0.9346
99 FAN 0.9342
100 5JC 0.9341
101 SS1 0.9339
102 NTN 0.9339
103 271 0.9338
104 4M0 0.9335
105 HDH 0.9334
106 826 0.9334
107 OKG 0.9334
108 LDU 0.9328
109 286 0.9327
110 JZ1 0.9326
111 BZX 0.9325
112 URF 0.9325
113 WBU 0.9323
114 7WG 0.9322
115 JZ2 0.9322
116 R8A 0.9322
117 FQI 0.9321
118 4HO 0.9319
119 UNU 0.9316
120 0R0 0.9314
121 4JO 0.9314
122 XUL 0.9314
123 PZA 0.9313
124 XRG 0.9311
125 JAE 0.9310
126 TDR 0.9309
127 NBZ 0.9308
128 JZ3 0.9307
129 HT4 0.9305
130 TLD 0.9305
131 MCT 0.9304
132 42J 0.9303
133 PNZ 0.9303
134 XYD 0.9301
135 275 0.9300
136 4NM 0.9297
137 2A9 0.9296
138 AC0 0.9295
139 SS2 0.9293
140 AX7 0.9292
141 ICP 0.9290
142 PYD 0.9290
143 1DH 0.9285
144 TSU 0.9285
145 4JJ 0.9284
146 4CL 0.9283
147 5UC 0.9283
148 3DM 0.9281
149 DOB 0.9279
150 IPB 0.9278
151 4BZ 0.9276
152 25T 0.9273
153 2AC 0.9273
154 MR1 0.9271
155 5CU 0.9271
156 XBZ 0.9269
157 LDP 0.9267
158 FA0 0.9266
159 270 0.9264
160 IUR 0.9262
161 RB5 0.9261
162 XYL 0.9261
163 IDH 0.9259
164 43M 0.9258
165 2MI 0.9257
166 TM7 0.9257
167 34A 0.9256
168 FPY 0.9255
169 RBL 0.9254
170 2MP 0.9251
171 2LP 0.9250
172 BR9 0.9246
173 MAE 0.9244
174 YCP 0.9243
175 DHB 0.9241
176 BSX 0.9240
177 E5X 0.9240
178 ROR 0.9238
179 XIY 0.9238
180 5MI 0.9237
181 1PT 0.9236
182 Y8I 0.9235
183 2K4 0.9234
184 IDM 0.9234
185 5H1 0.9231
186 ABV 0.9231
187 P92 0.9231
188 OAA 0.9229
189 PBC 0.9229
190 14O 0.9227
191 OTR 0.9227
192 CXL 0.9224
193 A1U 0.9223
194 4ZE 0.9223
195 HDA 0.9223
196 F60 0.9222
197 R1X 0.9221
198 11S 0.9219
199 RIB 0.9219
200 VGL 0.9219
201 23W 0.9216
202 OXZ 0.9215
203 1LN 0.9214
204 LMR 0.9214
205 27Y 0.9213
206 SAN 0.9209
207 MWM 0.9206
208 TYL 0.9203
209 MWJ 0.9201
210 FK1 0.9199
211 JZ4 0.9197
212 FP1 0.9197
213 H4N 0.9192
214 AHR 0.9191
215 268 0.9189
216 MZG 0.9187
217 4P5 0.9187
218 4NC 0.9186
219 DTU 0.9186
220 1P8 0.9186
221 FBB 0.9186
222 14J 0.9185
223 HVQ 0.9183
224 FEH 0.9181
225 DFB 0.9181
226 5MB 0.9180
227 FUB 0.9180
228 IFL 0.9179
229 MZW 0.9178
230 GLL 0.9176
231 BPN 0.9175
232 MRY 0.9173
233 NVI 0.9173
234 DIE 0.9172
235 SIN 0.9172
236 FUM 0.9172
237 G4D 0.9171
238 5NU 0.9171
239 CLW 0.9171
240 40E 0.9171
241 K2T 0.9170
242 6AI 0.9170
243 82I 0.9170
244 HSM 0.9169
245 4J8 0.9169
246 ES9 0.9167
247 5VM 0.9167
248 ISZ 0.9166
249 259 0.9166
250 261 0.9166
251 INO 0.9165
252 PRY 0.9164
253 AEG 0.9164
254 3U4 0.9164
255 HC4 0.9163
256 P9P 0.9163
257 7N0 0.9161
258 IMR 0.9159
259 9YL 0.9158
260 51F 0.9158
261 JZ5 0.9158
262 8NY 0.9157
263 36R 0.9154
264 CFI 0.9153
265 ES2 0.9153
266 NOJ 0.9150
267 2HO 0.9149
268 SMV 0.9148
269 BVC 0.9147
270 LCN 0.9146
271 NMG 0.9146
272 ILE 0.9144
273 4HP 0.9143
274 FCR 0.9142
275 IF7 0.9141
276 TMZ 0.9141
277 QOS 0.9141
278 PCA 0.9141
279 5XC 0.9140
280 LYL 0.9138
281 GXE 0.9135
282 ASO 0.9135
283 ET2 0.9134
284 1DU 0.9133
285 IFM 0.9133
286 4XX 0.9131
287 XYP 0.9130
288 BZ3 0.9129
289 5OB 0.9127
290 GLC 0.9127
291 5FX 0.9127
292 BHO 0.9125
293 TZE 0.9125
294 BE2 0.9123
295 2XX 0.9122
296 MZ0 0.9121
297 VGD 0.9121
298 G2F 0.9121
299 DEN 0.9121
300 3XX 0.9119
301 69O 0.9119
302 HCS 0.9119
303 5AC 0.9117
304 MRZ 0.9117
305 3V4 0.9116
306 PIH 0.9114
307 I1E 0.9112
308 F81 0.9111
309 MYJ 0.9110
310 GAL 0.9110
311 BVG 0.9110
312 NOY 0.9110
313 C2A 0.9109
314 TTO 0.9109
315 PRO 0.9107
316 9TW 0.9107
317 IP0 0.9107
318 F9P 0.9106
319 3SK 0.9105
320 258 0.9105
321 DGJ 0.9105
322 CHB 0.9104
323 QY9 0.9103
324 280 0.9100
325 LZ1 0.9100
326 1M2 0.9100
327 IHB 0.9099
328 P3K 0.9099
329 HX2 0.9097
330 AGK 0.9097
331 NIZ 0.9096
332 HHN 0.9095
333 GUA 0.9094
334 FBS 0.9094
335 SAL 0.9094
336 8CL 0.9092
337 SRT 0.9091
338 0R1 0.9090
339 DYA 0.9090
340 23A 0.9089
341 HSE 0.9086
342 2BG 0.9085
343 FBM 0.9084
344 MS9 0.9083
345 3HM 0.9083
346 93K 0.9082
347 GJZ 0.9081
348 HGW 0.9080
349 IND 0.9076
350 MNM 0.9076
351 278 0.9076
352 IXW 0.9075
353 BZI 0.9075
354 FHB 0.9074
355 449 0.9074
356 IPH 0.9070
357 AAS 0.9070
358 4JP 0.9069
359 MLT 0.9069
360 B53 0.9068
361 HIO 0.9068
362 TMT 0.9068
363 93B 0.9067
364 3DO 0.9065
365 MPI 0.9065
366 GVH 0.9065
367 HAI 0.9064
368 BZF 0.9059
369 F9Y 0.9058
370 NYL 0.9057
371 4A3 0.9057
372 2EZ 0.9054
373 JBN 0.9053
374 TPA 0.9051
375 NNO 0.9050
376 IT2 0.9048
377 MBN 0.9047
378 CEJ 0.9045
379 TLA 0.9044
380 AZF 0.9044
381 2PC 0.9043
382 XX2 0.9042
383 ICC 0.9041
384 FOA 0.9041
385 PHU 0.9038
386 PZI 0.9038
387 QSB 0.9038
388 JLZ 0.9038
389 BPW 0.9035
390 67N 0.9034
391 4SV 0.9030
392 4WL 0.9030
393 IHG 0.9029
394 I3E 0.9029
395 49F 0.9029
396 URP 0.9028
397 PAC 0.9027
398 2CK 0.9027
399 7WV 0.9025
400 2IM 0.9024
401 4AA 0.9023
402 AL0 0.9023
403 SNE 0.9022
404 0CT 0.9022
405 5WV 0.9021
406 JZ9 0.9020
407 DHS 0.9019
408 JKE 0.9017
409 J1Z 0.9017
410 VNJ 0.9016
411 KP6 0.9016
412 ORN 0.9013
413 LXC 0.9013
414 HYN 0.9012
415 MNN 0.9011
416 UGC 0.9009
417 1DJ 0.9004
418 WOT 0.9004
419 GIF 0.9003
420 CYH 0.9003
421 XIX 0.9002
422 TP5 0.9001
423 MLI 0.8998
424 6M4 0.8997
425 54D 0.8996
426 BE7 0.8995
427 13P 0.8993
428 PYC 0.8993
429 ECE 0.8992
430 M4T 0.8991
431 MUC 0.8990
432 6X8 0.8989
433 4AP 0.8989
434 1WD 0.8988
435 PMB 0.8988
436 PG3 0.8988
437 T2C 0.8987
438 OK7 0.8986
439 HYA 0.8985
440 3AP 0.8983
441 2FY 0.8983
442 A7N 0.8982
443 RCO 0.8982
444 4ZA 0.8982
445 MLA 0.8982
446 BNF 0.8981
447 RIP 0.8980
448 QUZ 0.8978
449 XBT 0.8976
450 URS 0.8976
451 2AP 0.8975
452 L60 0.8975
453 2KT 0.8973
454 HGQ 0.8973
455 1SA 0.8973
456 TZL 0.8973
457 ZBT 0.8973
458 I4B 0.8973
459 264 0.8970
460 XQ0 0.8970
461 8K2 0.8968
462 HVK 0.8968
463 MXN 0.8968
464 PRI 0.8968
465 FBJ 0.8967
466 NPY 0.8966
467 URA 0.8966
468 T6C 0.8966
469 3AB 0.8965
470 M1A 0.8965
471 ASN 0.8965
472 TEO 0.8965
473 PKU 0.8964
474 H3M 0.8964
475 AMS 0.8962
476 0HO 0.8962
477 DFU 0.8960
478 2AL 0.8957
479 R9S 0.8957
480 ODO 0.8956
481 H42 0.8955
482 JA8 0.8955
483 3PY 0.8951
484 03V 0.8951
485 JB5 0.8949
486 CRS 0.8947
487 DAS 0.8947
488 TZC 0.8947
489 4FS 0.8946
490 RHU 0.8946
491 I3A 0.8945
492 HRZ 0.8944
493 4JC 0.8944
494 HYP 0.8943
495 8WO 0.8943
496 2AQ 0.8942
497 COU 0.8942
498 FB2 0.8940
499 ES7 0.8940
500 SHA 0.8939
501 ASP 0.8939
502 0MK 0.8938
503 260 0.8938
504 COI 0.8937
505 HEW 0.8937
506 53C 0.8937
507 GLA 0.8935
508 GXY 0.8934
509 4XV 0.8932
510 2DR 0.8931
511 GAB 0.8930
512 DBH 0.8930
513 DMJ 0.8930
514 ES6 0.8930
515 ES5 0.8929
516 PA1 0.8929
517 C21 0.8929
518 3OC 0.8929
519 NMJ 0.8929
520 KIV 0.8928
521 LGA 0.8926
522 3F0 0.8925
523 M2H 0.8925
524 CYS 0.8925
525 ITN 0.8924
526 UY7 0.8924
527 E60 0.8924
528 Q88 0.8923
529 MET 0.8923
530 ABE 0.8923
531 XLS 0.8922
532 JIF 0.8922
533 3CH 0.8921
534 V1L 0.8920
535 YPN 0.8920
536 3C4 0.8920
537 4SD 0.8918
538 GBD 0.8918
539 BCU 0.8917
540 AES 0.8917
541 AKG 0.8916
542 ARW 0.8916
543 BVF 0.8916
544 A2Q 0.8915
545 4H2 0.8915
546 NEQ 0.8914
547 TFB 0.8914
548 BDP 0.8912
549 B3R 0.8912
550 PRA 0.8911
551 5NI 0.8910
552 M6W 0.8910
553 4XS 0.8910
554 1DV 0.8909
555 G3P 0.8908
556 1F1 0.8907
557 6FZ 0.8907
558 KKN 0.8906
559 IFP 0.8906
560 N4B 0.8905
561 SEP 0.8903
562 273 0.8902
563 RSF 0.8902
564 CIG 0.8899
565 7MH 0.8899
566 PRS 0.8898
567 M3T 0.8896
568 LT1 0.8896
569 9PO 0.8896
570 DTL 0.8896
571 AKB 0.8895
572 2CH 0.8894
573 26D 0.8894
574 FUL 0.8891
575 ISN 0.8891
576 M4S 0.8891
577 EKZ 0.8890
578 JFD 0.8888
579 CN0 0.8886
580 LG3 0.8885
581 GAG 0.8884
582 CYT 0.8883
583 3HA 0.8883
584 ABU 0.8883
585 LNR 0.8883
586 3M0 0.8882
587 TAR 0.8881
588 V55 0.8880
589 JYD 0.8879
590 ZXD 0.8879
591 94W 0.8877
592 IV2 0.8876
593 F05 0.8876
594 ES0 0.8874
595 3HB 0.8874
596 HPY 0.8873
597 RNT 0.8873
598 XYS 0.8872
599 OCH 0.8871
600 0HN 0.8871
601 TM4 0.8870
602 MAK 0.8870
603 6NI 0.8870
604 7HQ 0.8869
605 L99 0.8869
606 4Z4 0.8868
607 2D0 0.8865
608 LEU 0.8864
609 KMT 0.8863
610 T9G 0.8861
611 HPA 0.8859
612 A65 0.8859
613 GLF 0.8858
614 32O 0.8857
615 7W4 0.8857
616 3NT 0.8856
617 OXQ 0.8855
618 FA1 0.8855
619 Z6J 0.8853
620 GAF 0.8853
621 60P 0.8853
622 CWM 0.8851
623 KG7 0.8851
624 E7Z 0.8850
625 BGC 0.8849
626 CWJ 0.8849
627 DCY 0.8847
628 PYG 0.8847
629 24T 0.8846
630 RM1 0.8845
631 JFJ 0.8843
632 THE 0.8843
633 2FT 0.8843
634 FUC 0.8841
635 4CS 0.8840
636 2ZM 0.8840
637 OVV 0.8839
638 86J 0.8838
639 ARB 0.8837
640 OGA 0.8837
641 LZM 0.8836
642 AFR 0.8835
643 RUU 0.8834
644 3BZ 0.8834
645 64K 0.8833
646 MED 0.8832
647 SNO 0.8831
648 GXL 0.8830
649 DSN 0.8829
650 JBE 0.8828
651 X0V 0.8828
652 LRH 0.8827
653 8ZE 0.8827
654 FOC 0.8826
655 3A9 0.8824
656 ALL 0.8821
657 DGY 0.8821
658 ALO 0.8819
659 2HG 0.8818
660 X6X 0.8817
661 SKM 0.8817
662 3ID 0.8817
663 FBV 0.8816
664 RNO 0.8816
665 BEW 0.8816
666 6MH 0.8815
667 KBZ 0.8814
668 WCE 0.8814
669 JDN 0.8813
670 HH5 0.8813
671 284 0.8811
672 8GF 0.8811
673 4SX 0.8810
674 8GC 0.8809
675 GYE 0.8808
676 3CE 0.8808
677 OHP 0.8807
678 9DG 0.8807
679 XAN 0.8807
680 IOM 0.8807
681 2CM 0.8807
682 CSS 0.8807
683 DHK 0.8807
684 HHH 0.8806
685 K34 0.8806
686 7EX 0.8804
687 SER 0.8804
688 CRN 0.8802
689 DHY 0.8802
690 SOE 0.8802
691 938 0.8801
692 4YO 0.8801
693 GUN 0.8800
694 6AP 0.8800
695 4HM 0.8799
696 CMS 0.8799
697 2CO 0.8799
698 4JQ 0.8799
699 S24 0.8798
700 DMG 0.8797
701 BMA 0.8797
702 93Q 0.8795
703 L14 0.8795
704 HTS 0.8794
705 OVM 0.8794
706 42A 0.8793
707 AZA 0.8792
708 3SL 0.8791
709 IZC 0.8790
710 WOO 0.8788
711 HY3 0.8787
712 3MC 0.8787
713 SJ5 0.8786
714 LG5 0.8786
715 4FH 0.8786
716 FGZ 0.8784
717 CAQ 0.8784
718 NXA 0.8783
719 149 0.8783
720 N2I 0.8783
721 GLU 0.8781
722 ICF 0.8780
723 SGL 0.8780
724 6NT 0.8779
725 PGA 0.8778
726 EUG 0.8778
727 VAL 0.8778
728 DX4 0.8777
729 JAW 0.8774
730 GDE 0.8771
731 NF3 0.8770
732 YH7 0.8770
733 10L 0.8770
734 FCA 0.8770
735 YHO 0.8770
736 G3F 0.8770
737 265 0.8767
738 2MY 0.8767
739 3MH 0.8767
740 P2D 0.8766
741 HHA 0.8766
742 HIU 0.8765
743 GIV 0.8764
744 VOH 0.8762
745 SYV 0.8762
746 GLY ALA 0.8761
747 2AS 0.8761
748 JZ0 0.8760
749 285 0.8760
750 FB1 0.8759
751 40O 0.8759
752 DUC 0.8758
753 P4B 0.8758
754 SPA 0.8757
755 GLY GLY 0.8756
756 4ZC 0.8756
757 BRT 0.8756
758 DS0 0.8755
759 BZ2 0.8754
760 URC 0.8754
761 1P3 0.8753
762 THR 0.8753
763 6MP 0.8753
764 4NB 0.8751
765 GCS 0.8750
766 1GN 0.8750
767 DMD 0.8749
768 KBG 0.8748
769 2FG 0.8748
770 PEP 0.8747
771 DVQ 0.8747
772 DE5 0.8747
773 A3B 0.8746
774 1DQ 0.8745
775 5HN 0.8743
776 QWN 0.8742
777 5LA 0.8741
778 ICB 0.8741
779 1DW 0.8741
780 1XM 0.8741
781 4JT 0.8740
782 ADE 0.8740
783 LQ2 0.8740
784 FUF 0.8739
785 141 0.8738
786 2A7 0.8735
787 2EC 0.8734
788 6F0 0.8734
789 BTE 0.8734
790 6M1 0.8733
791 TBP 0.8733
792 OW4 0.8731
793 GOO 0.8731
794 2H5 0.8728
795 MBD 0.8727
796 GWM 0.8726
797 3NY 0.8724
798 AZG 0.8723
799 173 0.8722
800 TSS 0.8721
801 2C9 0.8721
802 948 0.8721
803 1WG 0.8719
804 IGA 0.8718
805 ABI 0.8718
806 TAG 0.8717
807 ABA 0.8715
808 5JQ 0.8715
809 ASC 0.8713
810 2HU 0.8713
811 LGC 0.8709
812 1AN 0.8708
813 6M9 0.8708
814 1XX 0.8708
815 MQN 0.8707
816 H76 0.8703
817 7W1 0.8703
818 QSH 0.8702
819 FP2 0.8698
820 DXX 0.8698
821 9EW 0.8695
822 L3Q 0.8695
823 9R5 0.8695
824 YIO 0.8693
825 IQ0 0.8693
826 ES4 0.8692
827 MAN 0.8692
828 069 0.8691
829 B57 0.8691
830 0TU 0.8689
831 ARA 0.8689
832 9TY 0.8685
833 SHG 0.8684
834 5XB 0.8684
835 BP1 0.8684
836 PM6 0.8684
837 7CZ 0.8682
838 0TR 0.8682
839 0RW 0.8680
840 TC7 0.8680
841 TIU 0.8679
842 A2F 0.8679
843 GRE 0.8677
844 7HP 0.8675
845 SR1 0.8675
846 9DA 0.8673
847 GLN 0.8672
848 QMP 0.8672
849 5RG 0.8672
850 7B4 0.8670
851 BUB 0.8668
852 CFP 0.8667
853 86L 0.8666
854 8TX 0.8663
855 HLR 0.8663
856 BDF 0.8663
857 F4E 0.8661
858 F0J 0.8661
859 8LG 0.8660
860 ESP 0.8659
861 PAE 0.8659
862 MEV 0.8659
863 XAZ 0.8659
864 FLM 0.8659
865 R8V 0.8659
866 FFP 0.8658
867 TGX 0.8656
868 3FA 0.8656
869 FK8 0.8656
870 VNL 0.8655
871 SMN 0.8654
872 KJY 0.8654
873 0CU 0.8654
874 GMN 0.8654
875 GRO 0.8653
876 2BX 0.8653
877 54G 0.8652
878 5M0 0.8651
879 150 0.8650
880 3Z7 0.8650
881 7MU 0.8649
882 ICO 0.8648
883 OVP 0.8647
884 GTQ 0.8646
885 B55 0.8644
886 MBG 0.8644
887 0LH 0.8641
888 5RN 0.8640
889 2CQ 0.8640
890 45C 0.8640
891 F4Z 0.8640
892 J6W 0.8638
893 MSR 0.8636
894 8S0 0.8635
895 5QX 0.8635
896 GZQ 0.8635
897 9RW 0.8635
898 SKA 0.8634
899 9HX 0.8633
900 9TZ 0.8633
901 OXE 0.8630
902 RMN 0.8628
903 PBA 0.8628
904 C5J 0.8626
905 24W 0.8626
906 8OZ 0.8625
907 UEG 0.8619
908 BOA 0.8617
909 DGL 0.8614
910 92Z 0.8610
911 CTL 0.8609
912 SWA 0.8607
913 K5W 0.8605
914 KSW 0.8605
915 KMH 0.8604
916 2ZV 0.8603
917 QXW 0.8603
918 SVN 0.8600
919 L89 0.8600
920 92K 0.8598
921 MMZ 0.8598
922 12T 0.8595
923 PXM 0.8594
924 5GU 0.8594
925 ORO 0.8593
926 KYD 0.8593
927 PBE 0.8591
928 2HQ 0.8590
929 FUD 0.8589
930 7WA 0.8589
931 FLA 0.8588
932 FBW 0.8588
933 BCP 0.8585
934 1CB 0.8585
935 ADA 0.8584
936 2AF 0.8580
937 3RK 0.8579
938 75K 0.8579
939 76X 0.8578
940 CPZ 0.8575
941 0V5 0.8571
942 M1E 0.8571
943 EOL 0.8571
944 QIC 0.8571
945 J9Q 0.8568
946 MB3 0.8563
947 97T 0.8562
948 SOR 0.8562
949 3ZQ 0.8560
950 FCB 0.8558
951 RM4 0.8551
952 3HP 0.8550
953 A09 0.8546
954 GZL 0.8546
955 1LQ 0.8545
956 AAE 0.8545
957 0P6 0.8541
958 OMD 0.8539
959 PTO 0.8539
960 SVD 0.8536
961 12Q 0.8530
962 TTL 0.8525
963 6UA 0.8513
964 GCU 0.8512
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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