Receptor
PDB id Resolution Class Description Source Keywords
3Q3M 1.75 Å EC: 1.14.13.- TOLUENE 4 MONOOXYGENASE HD COMPLEX WITH INHIBITOR 4-BROMOBEN PSEUDOMONAS MENDOCINA AROMATIC HYDROCARBON CATABOLISM IRON MULTI-COMPONENT MONOOAROMATIC HYDROXYLATION OXIDOREDUCTASE-OXIDOREDUCTASE INHIBCOMPLEX
Ref.: CRYSTALLOGRAPHIC ANALYSIS OF ACTIVE SITE CONTRIBUTI REGIOSPECIFICITY IN THE DIIRON ENZYME TOLUENE 4-MONOOXYGENASE. BIOCHEMISTRY V. 51 1101 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:509;
A:870;
D:509;
D:510;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
55.845 Fe [Fe+3...
Z82 A:510;
B:328;
B:329;
D:511;
E:104;
F:328;
H:104;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
201.017 C7 H5 Br O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TDU 1.74 Å EC: 1.14.13.- TOLUENE 4-MONOOXYGENASE (T4MOHD) BOUND TO PRODUCT AFTER TURN CRYSTAL PSEUDOMONAS MENDOCINA DIIRON OXIDOREDUCTASE
Ref.: IN-CRYSTAL REACTION CYCLE OF A TOLUENE-BOUND DIIRON HYDROXYLASE. NATURE V. 544 191 2017
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3DHH - BML C6 H5 Br O c1cc(ccc1O....
2 3Q3O - IPH C6 H6 O c1ccc(cc1)....
3 3Q14 - PCR C7 H8 O Cc1ccc(cc1....
4 3Q2A - PAB C7 H7 N O2 c1cc(ccc1C....
5 3Q3N - NPO C6 H5 N O3 c1cc(ccc1[....
6 5TDU - PCR C7 H8 O Cc1ccc(cc1....
7 5TDT - MBN C7 H8 Cc1ccccc1
8 3Q3M - Z82 C7 H5 Br O2 c1cc(ccc1C....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3DHH - BML C6 H5 Br O c1cc(ccc1O....
2 3Q3O - IPH C6 H6 O c1ccc(cc1)....
3 3Q14 - PCR C7 H8 O Cc1ccc(cc1....
4 3Q2A - PAB C7 H7 N O2 c1cc(ccc1C....
5 3Q3N - NPO C6 H5 N O3 c1cc(ccc1[....
6 5TDU - PCR C7 H8 O Cc1ccc(cc1....
7 5TDT - MBN C7 H8 Cc1ccccc1
8 3Q3M - Z82 C7 H5 Br O2 c1cc(ccc1C....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3DHH - BML C6 H5 Br O c1cc(ccc1O....
2 3Q3O - IPH C6 H6 O c1ccc(cc1)....
3 3Q14 - PCR C7 H8 O Cc1ccc(cc1....
4 3Q2A - PAB C7 H7 N O2 c1cc(ccc1C....
5 3Q3N - NPO C6 H5 N O3 c1cc(ccc1[....
6 5TDU - PCR C7 H8 O Cc1ccc(cc1....
7 5TDT - MBN C7 H8 Cc1ccccc1
8 3Q3M - Z82 C7 H5 Br O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: Z82; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 Z82 1 1
2 MBO 0.466667 0.647059
3 174 0.466667 0.875
4 1Y6 0.466667 0.875
5 4MA 0.466667 0.625
6 BE7 0.4375 0.6
7 3AE 0.424242 0.666667
8 BEZ 0.413793 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: Z82; Similar ligands found: 1105
No: Ligand Similarity coefficient
1 SW7 1.0000
2 PHB 1.0000
3 NPO 1.0000
4 HBD 1.0000
5 PBZ 0.9994
6 P72 0.9974
7 AC6 0.9964
8 PAB 0.9951
9 826 0.9929
10 4BZ 0.9834
11 4NM 0.9826
12 BPN 0.9798
13 PNZ 0.9790
14 AMH 0.9777
15 E5X 0.9771
16 259 0.9754
17 ANN 0.9754
18 NCA 0.9738
19 6PC 0.9731
20 4M0 0.9728
21 BEN 0.9719
22 BAM 0.9713
23 NTN 0.9711
24 HBA 0.9708
25 BZ3 0.9694
26 YCP 0.9693
27 NIO 0.9685
28 FA0 0.9682
29 DOB 0.9681
30 BHA 0.9678
31 FQI 0.9675
32 SN4 0.9673
33 4JL 0.9671
34 QSC 0.9670
35 4NC 0.9669
36 5OB 0.9655
37 UNU 0.9651
38 JLZ 0.9648
39 DHB 0.9643
40 3HM 0.9643
41 FCR 0.9635
42 NBZ 0.9635
43 PBC 0.9635
44 PZA 0.9628
45 HDH 0.9626
46 11S 0.9625
47 MYJ 0.9623
48 VGL 0.9623
49 93K 0.9622
50 4VP 0.9619
51 P9P 0.9617
52 XX2 0.9617
53 TSU 0.9616
54 4A3 0.9616
55 JAE 0.9613
56 5CU 0.9613
57 2HO 0.9610
58 AC0 0.9609
59 FBA 0.9605
60 2MI 0.9604
61 4P5 0.9600
62 FHB 0.9600
63 AAS 0.9600
64 NNO 0.9590
65 SS1 0.9587
66 5NU 0.9584
67 SAN 0.9582
68 4J8 0.9580
69 INO 0.9577
70 BNS 0.9575
71 9TW 0.9571
72 CHB 0.9568
73 5XC 0.9563
74 FBS 0.9561
75 ABV 0.9558
76 AX7 0.9554
77 HMH 0.9553
78 JZ7 0.9552
79 270 0.9551
80 H4N 0.9542
81 QSB 0.9541
82 FK1 0.9540
83 8NY 0.9540
84 717 0.9539
85 IPB 0.9535
86 IHB 0.9533
87 5MI 0.9529
88 2K4 0.9525
89 1M2 0.9520
90 OTR 0.9518
91 4WL 0.9518
92 2CK 0.9515
93 C2B 0.9514
94 14O 0.9510
95 4ZA 0.9510
96 5H1 0.9509
97 M58 0.9509
98 CLW 0.9508
99 F60 0.9507
100 ES9 0.9503
101 2BG 0.9501
102 5MB 0.9501
103 14J 0.9499
104 CFI 0.9496
105 AMS 0.9495
106 XIY 0.9494
107 MS9 0.9492
108 RSO 0.9491
109 P92 0.9490
110 4FS 0.9486
111 8ZE 0.9485
112 4AA 0.9484
113 XYL 0.9480
114 RB5 0.9480
115 BZX 0.9477
116 PRO 0.9475
117 1PT 0.9474
118 FBB 0.9467
119 2AQ 0.9464
120 BHO 0.9464
121 8WO 0.9464
122 5WV 0.9460
123 H8N 0.9459
124 IT2 0.9459
125 JB5 0.9457
126 SAL 0.9456
127 1P8 0.9455
128 4JM 0.9452
129 5VM 0.9450
130 ET2 0.9447
131 XQ0 0.9446
132 6AI 0.9446
133 PHU 0.9446
134 ES5 0.9444
135 SRT 0.9442
136 67N 0.9441
137 03V 0.9440
138 IDM 0.9439
139 AMC 0.9438
140 36R 0.9434
141 QUZ 0.9431
142 ES2 0.9426
143 RHU 0.9425
144 I3E 0.9424
145 BE2 0.9422
146 PZM 0.9422
147 AEF 0.9422
148 JKE 0.9421
149 H42 0.9421
150 K2T 0.9420
151 FBM 0.9420
152 NPY 0.9418
153 4FA 0.9417
154 IND 0.9415
155 ES7 0.9415
156 DEN 0.9414
157 TH7 0.9414
158 OCH 0.9413
159 VGD 0.9411
160 FOA 0.9411
161 GUA 0.9410
162 F9Y 0.9409
163 C21 0.9407
164 DHR 0.9405
165 ES6 0.9404
166 TTL 0.9403
167 M1A 0.9403
168 DE5 0.9403
169 ISZ 0.9402
170 4XR 0.9402
171 XM0 0.9402
172 LZ1 0.9400
173 COU 0.9398
174 BZI 0.9396
175 HX3 0.9395
176 MSR 0.9395
177 OK7 0.9390
178 6RQ 0.9387
179 2PC 0.9386
180 7W4 0.9382
181 0R1 0.9380
182 BP9 0.9378
183 NIZ 0.9378
184 F9P 0.9378
185 SYN 0.9376
186 N2I 0.9375
187 MR1 0.9373
188 YRL 0.9371
189 0CT 0.9370
190 MLT 0.9370
191 BZF 0.9369
192 C1M 0.9365
193 3U4 0.9364
194 MPI 0.9363
195 TPA 0.9362
196 3ID 0.9358
197 FYU 0.9358
198 TYL 0.9358
199 4JT 0.9356
200 M4S 0.9354
201 MRZ 0.9353
202 OAA 0.9353
203 AL0 0.9352
204 JBE 0.9352
205 K34 0.9351
206 4SV 0.9350
207 4JC 0.9350
208 CWJ 0.9346
209 IFP 0.9345
210 JZ9 0.9344
211 ASO 0.9343
212 SS2 0.9342
213 FAN 0.9340
214 KBZ 0.9339
215 2FY 0.9339
216 KKN 0.9338
217 GVH 0.9338
218 36Y 0.9338
219 TP5 0.9338
220 0HO 0.9337
221 8GC 0.9337
222 ISN 0.9335
223 NMJ 0.9335
224 CPZ 0.9334
225 SYV 0.9333
226 7W1 0.9332
227 RNO 0.9327
228 6M4 0.9327
229 S2G 0.9327
230 ABN 0.9326
231 PAC 0.9324
232 JBN 0.9321
233 PRS 0.9318
234 265 0.9318
235 GAB 0.9318
236 8H8 0.9318
237 PYC 0.9317
238 5LA 0.9317
239 MNN 0.9316
240 ODO 0.9315
241 A7N 0.9315
242 6M9 0.9312
243 JA8 0.9311
244 54D 0.9310
245 M4T 0.9308
246 TZF 0.9306
247 F05 0.9305
248 4YO 0.9305
249 2A9 0.9305
250 3M0 0.9304
251 1DV 0.9303
252 SNU 0.9303
253 94W 0.9302
254 RBL 0.9302
255 0RW 0.9302
256 GAG 0.9302
257 HBX 0.9302
258 MXN 0.9302
259 SKM 0.9301
260 LQ2 0.9301
261 3PF 0.9301
262 PY7 0.9300
263 5QY 0.9300
264 LMR 0.9299
265 FB2 0.9299
266 1SA 0.9299
267 GJZ 0.9298
268 SKA 0.9297
269 3HB 0.9297
270 UY7 0.9296
271 3BZ 0.9296
272 4NB 0.9295
273 HC4 0.9294
274 FPI 0.9294
275 3AB 0.9291
276 1WD 0.9290
277 LNR 0.9289
278 7WV 0.9289
279 273 0.9287
280 R8V 0.9287
281 4CS 0.9287
282 DMD 0.9286
283 60P 0.9283
284 DYA 0.9282
285 7WG 0.9282
286 NDH 0.9281
287 GOJ 0.9281
288 CN0 0.9280
289 GLU 0.9280
290 5HN 0.9278
291 NBE 0.9277
292 0TU 0.9277
293 HHA 0.9276
294 R2B 0.9274
295 GDE 0.9273
296 PYF 0.9273
297 JZ5 0.9273
298 KOJ 0.9272
299 4JU 0.9272
300 86J 0.9272
301 53C 0.9272
302 PKU 0.9271
303 4JQ 0.9270
304 TZC 0.9270
305 X0V 0.9269
306 5AC 0.9268
307 CTL 0.9267
308 I1E 0.9267
309 OVV 0.9267
310 HY1 0.9266
311 4FH 0.9266
312 1MR 0.9265
313 HYP 0.9265
314 OXQ 0.9265
315 1DJ 0.9265
316 MQN 0.9264
317 4Z4 0.9263
318 SMV 0.9263
319 DBH 0.9262
320 3OC 0.9262
321 282 0.9261
322 L14 0.9260
323 HLR 0.9260
324 QY9 0.9259
325 3NT 0.9259
326 PCA 0.9259
327 BRT 0.9258
328 PMB 0.9258
329 4JP 0.9257
330 3NY 0.9256
331 SNO 0.9255
332 XRG 0.9254
333 NOY 0.9253
334 SHA 0.9253
335 DHK 0.9252
336 LDU 0.9251
337 9EW 0.9250
338 3A9 0.9249
339 WCE 0.9248
340 1F1 0.9248
341 IV2 0.9247
342 2ZM 0.9246
343 J6W 0.9246
344 SVN 0.9243
345 ZXD 0.9243
346 0HN 0.9243
347 PIM 0.9242
348 CXF 0.9242
349 4VY 0.9241
350 COI 0.9241
351 6NI 0.9240
352 ZBT 0.9239
353 5QX 0.9239
354 HMU 0.9238
355 173 0.9236
356 BML 0.9235
357 3F0 0.9234
358 JBK 0.9233
359 IOL 0.9230
360 TGX 0.9230
361 6NT 0.9226
362 3HA 0.9226
363 3SK 0.9225
364 4JN 0.9223
365 2MH 0.9222
366 D48 0.9221
367 OHG 0.9218
368 QWN 0.9218
369 AHR 0.9218
370 XUL 0.9216
371 M3H 0.9215
372 KDV 0.9215
373 3DM 0.9213
374 HQT 0.9213
375 ZZT 0.9213
376 E7S 0.9210
377 RIB 0.9210
378 MET 0.9209
379 4CH 0.9209
380 FE DB1 0.9207
381 E7Z 0.9206
382 L99 0.9204
383 PIY 0.9203
384 SE2 0.9203
385 XBT 0.9203
386 GBD 0.9203
387 HHH 0.9201
388 IFL 0.9200
389 FPY 0.9200
390 4SX 0.9198
391 G3E 0.9197
392 B57 0.9197
393 2FT 0.9197
394 EKZ 0.9196
395 R8S 0.9196
396 NOJ 0.9195
397 24B 0.9195
398 2HU 0.9195
399 OKG 0.9194
400 ASP 0.9194
401 QXW 0.9193
402 BZ2 0.9193
403 5NI 0.9191
404 GYE 0.9186
405 97T 0.9185
406 9CL 0.9185
407 MRW 0.9182
408 2HQ 0.9182
409 GAL 0.9182
410 OXZ 0.9182
411 1DU 0.9181
412 NSP 0.9179
413 IF7 0.9179
414 69O 0.9174
415 QSH 0.9173
416 SPA 0.9173
417 J5I 0.9172
418 3DO 0.9171
419 PZI 0.9170
420 LT2 0.9170
421 8K2 0.9170
422 FBJ 0.9169
423 J9Q 0.9168
424 4HS 0.9167
425 9R5 0.9167
426 JAW 0.9167
427 DIN 0.9164
428 N5J 0.9164
429 NK 0.9163
430 PXY 0.9163
431 HY3 0.9161
432 KJU 0.9161
433 DGJ 0.9161
434 L3Q 0.9161
435 DS0 0.9159
436 5GU 0.9158
437 6FZ 0.9157
438 TIU 0.9157
439 0JD 0.9157
440 HQE 0.9156
441 12Q 0.9156
442 3MB 0.9154
443 J9T 0.9149
444 PCR 0.9148
445 15E 0.9145
446 G2F 0.9144
447 OVM 0.9144
448 AKG 0.9144
449 FGZ 0.9143
450 VNJ 0.9142
451 PEA 0.9140
452 IFM 0.9140
453 JAB 0.9140
454 MRY 0.9138
455 1MC 0.9138
456 PXL 0.9136
457 LDP 0.9136
458 ABI 0.9136
459 VNL 0.9134
460 LG4 0.9133
461 LPK 0.9128
462 3BU 0.9127
463 5B1 0.9127
464 7N0 0.9126
465 ICB 0.9124
466 FUD 0.9122
467 ILE 0.9121
468 XYP 0.9120
469 WOT 0.9120
470 25R 0.9119
471 F4E 0.9119
472 R9Y 0.9118
473 SMN 0.9115
474 1P7 0.9115
475 PLQ 0.9113
476 DA1 0.9112
477 RMN 0.9112
478 HPA 0.9111
479 FPN 0.9111
480 MAE 0.9111
481 5SG 0.9110
482 HCS 0.9110
483 TH0 0.9108
484 5IQ 0.9106
485 G4D 0.9104
486 ESX 0.9103
487 2D0 0.9103
488 10L 0.9103
489 HSM 0.9100
490 M6W 0.9099
491 ASN 0.9099
492 HSO 0.9098
493 0CU 0.9098
494 1DW 0.9098
495 GLC 0.9098
496 RM1 0.9093
497 ESP 0.9092
498 4YS 0.9092
499 ASC 0.9090
500 KTJ 0.9090
501 XLS 0.9087
502 1SQ 0.9087
503 ADA 0.9085
504 2LP 0.9084
505 SJ5 0.9083
506 HSE 0.9082
507 BDP 0.9080
508 6F0 0.9079
509 TDR 0.9078
510 MEV 0.9078
511 7MU 0.9078
512 GTQ 0.9077
513 82I 0.9077
514 HX2 0.9077
515 HQY 0.9076
516 LXC 0.9075
517 IDH 0.9075
518 URF 0.9074
519 IUR 0.9074
520 FP1 0.9073
521 9DA 0.9072
522 8OZ 0.9071
523 BGC 0.9070
524 RAT 0.9069
525 8WT 0.9069
526 A5E 0.9069
527 GRE 0.9066
528 9RW 0.9065
529 275 0.9064
530 GTR 0.9064
531 J1Z 0.9063
532 A7W 0.9062
533 EA1 0.9061
534 5Q0 0.9061
535 FB1 0.9061
536 VKC 0.9060
537 1NP 0.9059
538 CWM 0.9059
539 PYJ 0.9059
540 1LQ 0.9057
541 PEQ 0.9054
542 7HP 0.9054
543 0V5 0.9053
544 6M1 0.9053
545 ES1 0.9053
546 4XH 0.9049
547 FBV 0.9049
548 Q24 0.9049
549 HH5 0.9047
550 3SL 0.9047
551 51R 0.9045
552 24W 0.9044
553 QMP 0.9043
554 5MH 0.9043
555 JB8 0.9042
556 WBU 0.9041
557 PEP 0.9041
558 JZ3 0.9041
559 5JC 0.9040
560 069 0.9040
561 Q88 0.9040
562 XYD 0.9039
563 5UC 0.9039
564 52C 0.9037
565 FA1 0.9036
566 1XM 0.9036
567 1DQ 0.9036
568 ICF 0.9035
569 JDN 0.9034
570 HIS 0.9034
571 1P3 0.9033
572 ES0 0.9032
573 JPZ 0.9032
574 QX2 0.9032
575 SEP 0.9032
576 BCP 0.9031
577 4HM 0.9031
578 B55 0.9030
579 AHB 0.9030
580 DHS 0.9030
581 BTY 0.9030
582 6MP 0.9029
583 4JO 0.9029
584 HH8 0.9029
585 34A 0.9026
586 FDB 0.9026
587 AZF 0.9026
588 268 0.9025
589 9HX 0.9024
590 I3A 0.9024
591 YH7 0.9024
592 AZA 0.9023
593 MCT 0.9022
594 5JQ 0.9022
595 APY 0.9022
596 YPN 0.9022
597 7WA 0.9021
598 OW4 0.9021
599 FBF 0.9021
600 ICP 0.9020
601 PYD 0.9020
602 M6N 0.9020
603 OGA 0.9020
604 4XS 0.9019
605 R8A 0.9018
606 5RG 0.9016
607 TFB 0.9016
608 9FL 0.9015
609 7HQ 0.9014
610 1CO 0.9014
611 2MP 0.9014
612 XBZ 0.9013
613 4HO 0.9013
614 PEL 0.9013
615 B24 0.9012
616 0R0 0.9012
617 0FN 0.9012
618 4XV 0.9010
619 23A 0.9010
620 4HP 0.9008
621 2ZV 0.9007
622 QWW 0.9007
623 9X7 0.9007
624 GZL 0.9007
625 ADE 0.9005
626 4ZE 0.9005
627 UNJ 0.9004
628 2HG 0.9002
629 A2F 0.9001
630 54G 0.9000
631 2AC 0.9000
632 N2Z 0.8999
633 PBA 0.8999
634 12T 0.8995
635 449 0.8993
636 XAZ 0.8993
637 PM6 0.8991
638 5RN 0.8991
639 DX4 0.8990
640 URC 0.8990
641 CFP 0.8988
642 43M 0.8987
643 GCU 0.8985
644 9TZ 0.8985
645 ITN 0.8984
646 286 0.8984
647 5M0 0.8984
648 A1U 0.8983
649 QIC 0.8982
650 BEA 0.8981
651 EQT 0.8981
652 GLN 0.8980
653 141 0.8980
654 MZW 0.8979
655 F81 0.8979
656 RSF 0.8979
657 2EC 0.8976
658 SD4 0.8976
659 428 0.8975
660 42J 0.8975
661 JZ2 0.8974
662 258 0.8974
663 Z13 0.8974
664 TZE 0.8973
665 MZG 0.8973
666 M45 0.8973
667 36E 0.8972
668 M5K 0.8972
669 MEW 0.8972
670 261 0.8972
671 0P6 0.8971
672 OVP 0.8970
673 3XX 0.8970
674 URS 0.8970
675 45L 0.8970
676 A29 0.8969
677 GGL 0.8968
678 5MK 0.8968
679 BP1 0.8967
680 1WG 0.8967
681 GLA 0.8966
682 TAR 0.8965
683 0TR 0.8963
684 AES 0.8962
685 SME 0.8960
686 CWS 0.8959
687 G3F 0.8959
688 A09 0.8958
689 TLA 0.8958
690 6CS 0.8956
691 HT4 0.8956
692 XCZ 0.8956
693 4JJ 0.8956
694 6AP 0.8955
695 MWM 0.8954
696 AZG 0.8953
697 NF3 0.8952
698 2YU 0.8951
699 MWJ 0.8951
700 JBH 0.8951
701 KYD 0.8950
702 2QC 0.8950
703 ES4 0.8949
704 1IT 0.8949
705 TLD 0.8949
706 AJ2 0.8948
707 9CA 0.8948
708 F4K 0.8947
709 SIN 0.8946
710 SOE 0.8945
711 DVQ 0.8945
712 7B4 0.8944
713 O72 0.8943
714 6KT 0.8942
715 FUL 0.8941
716 AZ8 0.8940
717 ADZ 0.8940
718 4CL 0.8939
719 GLL 0.8939
720 FBW 0.8939
721 R1X 0.8938
722 BOA 0.8938
723 PE0 0.8937
724 290 0.8936
725 Y8I 0.8935
726 9DG 0.8934
727 IWT 0.8933
728 3FH 0.8933
729 TM7 0.8932
730 9YL 0.8931
731 8IG 0.8931
732 8CM 0.8930
733 KT7 0.8929
734 4HC 0.8929
735 TEO 0.8928
736 J9N 0.8928
737 13P 0.8927
738 GWM 0.8927
739 5XB 0.8925
740 15N 0.8924
741 2AL 0.8923
742 AZ9 0.8922
743 75K 0.8922
744 UFV 0.8921
745 8TX 0.8920
746 F1A 0.8919
747 GXY 0.8918
748 1LM 0.8918
749 XAN 0.8917
750 KJY 0.8917
751 URP 0.8917
752 KUF 0.8916
753 AQO 0.8914
754 1LN 0.8914
755 ORN 0.8914
756 GXL 0.8913
757 EUG 0.8913
758 HQJ 0.8913
759 MAK 0.8911
760 3V4 0.8911
761 27Y 0.8909
762 SX1 0.8909
763 F31 0.8909
764 M2K 0.8908
765 4TU 0.8907
766 SWA 0.8907
767 AGK 0.8906
768 IMR 0.8905
769 NCT 0.8905
770 SPV 0.8904
771 TWO 0.8904
772 X6X 0.8903
773 A7H 0.8902
774 GUN 0.8901
775 INE 0.8901
776 4NZ 0.8901
777 DTU 0.8900
778 QOS 0.8899
779 150 0.8895
780 OXC 0.8895
781 GLY GLY 0.8894
782 IGA 0.8894
783 AW5 0.8894
784 92K 0.8892
785 2F6 0.8892
786 0BP 0.8891
787 FCA 0.8891
788 QBK 0.8891
789 BVG 0.8890
790 B53 0.8890
791 K5W 0.8889
792 HPS 0.8889
793 2PG 0.8888
794 GIF 0.8888
795 9ZE 0.8885
796 Q07 0.8884
797 GAF 0.8884
798 5JL 0.8883
799 6GU 0.8882
800 E1T 0.8882
801 H62 0.8880
802 BR9 0.8879
803 OW7 0.8879
804 B85 0.8878
805 271 0.8878
806 4SD 0.8877
807 DOR 0.8876
808 KJH 0.8875
809 F0J 0.8875
810 8S0 0.8875
811 FUM 0.8874
812 ICO 0.8873
813 HQD 0.8873
814 PHE 0.8872
815 GZ3 0.8871
816 ORO 0.8871
817 3PG 0.8870
818 152 0.8868
819 3QM 0.8868
820 CRN 0.8867
821 2CQ 0.8867
822 XXG 0.8866
823 JZ1 0.8865
824 CEE 0.8865
825 1Z6 0.8864
826 SR1 0.8864
827 PO6 0.8864
828 PA1 0.8863
829 JND 0.8863
830 7VP 0.8863
831 2FG 0.8863
832 GVG 0.8862
833 4BY 0.8862
834 SOR 0.8861
835 MZ0 0.8861
836 3HG 0.8859
837 GCS 0.8857
838 FUC 0.8856
839 2HC 0.8855
840 DGL 0.8854
841 PH3 0.8852
842 BTE 0.8851
843 23W 0.8849
844 LGC 0.8849
845 MNM 0.8846
846 6ME 0.8843
847 5RO 0.8842
848 3Z8 0.8842
849 4CM 0.8841
850 3ZB 0.8841
851 YIO 0.8840
852 51F 0.8839
853 AM4 0.8839
854 D1X 0.8839
855 KIV 0.8835
856 DFU 0.8834
857 PQK 0.8834
858 R9S 0.8834
859 1GN 0.8833
860 4JE 0.8832
861 RIP 0.8830
862 OTW 0.8829
863 2GS 0.8829
864 MAH 0.8826
865 BNF 0.8825
866 SLS 0.8825
867 B62 0.8825
868 DFB 0.8824
869 V55 0.8824
870 0W8 0.8824
871 1KP 0.8824
872 IZC 0.8823
873 HHI 0.8823
874 7CZ 0.8822
875 AJV 0.8822
876 RUY 0.8822
877 149 0.8820
878 3W8 0.8819
879 2H5 0.8818
880 NVI 0.8818
881 PGH 0.8817
882 BVC 0.8817
883 TYE 0.8817
884 MPV 0.8816
885 0FO 0.8816
886 GIV 0.8814
887 XYS 0.8814
888 S7J 0.8813
889 XHP 0.8812
890 RBJ 0.8810
891 4P0 0.8808
892 4RU 0.8808
893 MVN 0.8808
894 KMH 0.8807
895 G3P 0.8806
896 G3H 0.8806
897 L5V 0.8805
898 45C 0.8803
899 44W 0.8803
900 FBT 0.8802
901 4BL 0.8802
902 FDR 0.8802
903 PBE 0.8801
904 GJP 0.8800
905 PG3 0.8799
906 OHP 0.8797
907 25W 0.8796
908 SWD 0.8796
909 ZYX 0.8795
910 P3K 0.8795
911 JFD 0.8794
912 0MK 0.8793
913 4M4 0.8793
914 2BX 0.8792
915 RUU 0.8791
916 T2C 0.8791
917 JIF 0.8790
918 42A 0.8790
919 1HN 0.8787
920 FDK 0.8787
921 MAN 0.8785
922 BNL 0.8785
923 CH9 0.8785
924 X0U 0.8784
925 LR5 0.8784
926 MAJ 0.8784
927 39O 0.8784
928 280 0.8783
929 23J 0.8783
930 GP9 0.8783
931 H4E 0.8782
932 86L 0.8781
933 PRF 0.8780
934 Z5P 0.8780
935 VK3 0.8780
936 Q02 0.8780
937 J9W 0.8780
938 M1Q 0.8780
939 EVA 0.8779
940 QX4 0.8778
941 LZM 0.8775
942 2AK 0.8773
943 MUA 0.8773
944 HDA 0.8773
945 0N7 0.8771
946 ECE 0.8767
947 JFJ 0.8766
948 THR 0.8763
949 DTL 0.8762
950 IP0 0.8762
951 HX4 0.8762
952 P4B 0.8761
953 8W9 0.8757
954 NQ 0.8757
955 PRA 0.8757
956 VAL 0.8755
957 K97 0.8755
958 Q6T 0.8755
959 PJW 0.8754
960 EN1 0.8753
961 44V 0.8752
962 F4Z 0.8751
963 DQU 0.8750
964 ABE 0.8747
965 HVQ 0.8746
966 92P 0.8744
967 AN3 0.8743
968 FK8 0.8740
969 ESI 0.8740
970 FLA 0.8739
971 HA5 0.8738
972 A13 0.8737
973 2AS 0.8736
974 9TY 0.8736
975 DBX 0.8735
976 DHY 0.8734
977 CUW 0.8733
978 3IT 0.8733
979 C2A 0.8732
980 2DR 0.8730
981 DHQ 0.8729
982 32X 0.8729
983 TC7 0.8728
984 NID 0.8724
985 ARB 0.8723
986 MLA 0.8722
987 APG 0.8721
988 G6D 0.8720
989 6TZ 0.8720
990 PXM 0.8718
991 R20 0.8718
992 LEU 0.8718
993 PRZ 0.8718
994 NAG 0.8717
995 AKH 0.8714
996 C2Y 0.8714
997 DIU 0.8709
998 HJP 0.8707
999 TTY 0.8707
1000 47J 0.8703
1001 PQ0 0.8703
1002 GIO 0.8702
1003 0F9 0.8702
1004 FA3 0.8702
1005 MLI 0.8702
1006 GF4 0.8700
1007 XQG 0.8700
1008 IQ0 0.8700
1009 RXA 0.8700
1010 CXL 0.8698
1011 MT0 0.8697
1012 DEE 0.8697
1013 PGA 0.8694
1014 9FE 0.8694
1015 JG8 0.8692
1016 S76 0.8690
1017 DMG 0.8689
1018 1XN 0.8687
1019 8XL 0.8687
1020 7MH 0.8684
1021 0OC 0.8682
1022 OQC 0.8682
1023 PYQ 0.8680
1024 PPY 0.8679
1025 7NI 0.8677
1026 2FQ 0.8675
1027 XDE 0.8674
1028 SRO 0.8674
1029 HAI 0.8673
1030 DRL 0.8673
1031 CYH 0.8670
1032 680 0.8669
1033 MWP 0.8666
1034 TCA 0.8666
1035 6VD 0.8665
1036 UNC 0.8662
1037 KBB 0.8660
1038 ICC 0.8654
1039 EYK 0.8653
1040 PD2 0.8652
1041 AJY 0.8650
1042 A65 0.8650
1043 PH2 0.8650
1044 3PY 0.8650
1045 25T 0.8646
1046 27B 0.8645
1047 TSS 0.8640
1048 495 0.8639
1049 CRS 0.8638
1050 FHC 0.8637
1051 278 0.8636
1052 SHG 0.8635
1053 N91 0.8635
1054 IAC 0.8635
1055 4XX 0.8633
1056 1DH 0.8633
1057 JBQ 0.8633
1058 C2U 0.8629
1059 TOF 0.8629
1060 E4P 0.8627
1061 KTW 0.8624
1062 3WA 0.8624
1063 VXX 0.8624
1064 FOT 0.8624
1065 HPY 0.8623
1066 80G 0.8622
1067 PDC 0.8622
1068 DUC 0.8620
1069 37T 0.8620
1070 V1L 0.8618
1071 TT4 0.8618
1072 N3W 0.8613
1073 3VX 0.8613
1074 AAE 0.8610
1075 EVF 0.8608
1076 GXE 0.8607
1077 7WR 0.8604
1078 RCO 0.8602
1079 PYG 0.8601
1080 T6C 0.8601
1081 4LW 0.8598
1082 URA 0.8595
1083 GO2 0.8593
1084 C5J 0.8591
1085 IJZ 0.8587
1086 N4E 0.8586
1087 P2D 0.8585
1088 CIT 0.8584
1089 MZB 0.8584
1090 S0E 0.8583
1091 MBG 0.8582
1092 IPH 0.8578
1093 TMZ 0.8576
1094 F5B 0.8570
1095 MBN 0.8568
1096 284 0.8565
1097 3CH 0.8563
1098 2KT 0.8559
1099 LG3 0.8551
1100 4ZC 0.8549
1101 1L5 0.8547
1102 M0W 0.8546
1103 9MG 0.8545
1104 3AP 0.8542
1105 CYT 0.8533
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5TDU; Ligand: PCR; 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: 5tdu.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5TDU; Ligand: PCR; 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: 5tdu.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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