Receptor
PDB id Resolution Class Description Source Keywords
3Q2A 1.99 Å EC: 1.14.13.- TOLUENE 4 MONOOXYGENASE HD COMPLEX WITH INHIBITOR P-AMINOBEN 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
CYS A:508;
Invalid;
none;
submit data
121.158 C3 H7 N O2 S C([C@...
ETE B:329;
Invalid;
none;
submit data
208.252 C9 H20 O5 COCCO...
FE A:517;
A:518;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
P6G A:523;
Invalid;
none;
submit data
282.331 C12 H26 O7 C(COC...
PAB A:519;
A:520;
A:521;
A:522;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
137.136 C7 H7 N O2 c1cc(...
SER B:327;
Invalid;
none;
submit data
105.093 C3 H7 N O3 C([C@...
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: PAB; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PAB 1 1
2 LQ2 0.517241 0.666667
3 GAB 0.4375 1
4 VBC 0.414634 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: PAB; Similar ligands found: 1191
No: Ligand Similarity coefficient
1 PBZ 1.0000
2 NPO 1.0000
3 PHB 1.0000
4 HBD 1.0000
5 826 1.0000
6 4MA 1.0000
7 SW7 1.0000
8 P72 1.0000
9 1Y6 1.0000
10 174 1.0000
11 AC6 1.0000
12 JZ3 1.0000
13 Z82 0.9951
14 4NC 0.9826
15 4BZ 0.9819
16 E5X 0.9803
17 BEZ 0.9801
18 HBA 0.9794
19 XX2 0.9787
20 4P5 0.9786
21 JLZ 0.9786
22 ANN 0.9785
23 DOB 0.9772
24 BHA 0.9767
25 DHB 0.9764
26 BEN 0.9763
27 FA0 0.9762
28 HDH 0.9762
29 AMH 0.9754
30 JAE 0.9753
31 4VP 0.9749
32 NCA 0.9749
33 NIO 0.9748
34 NNO 0.9746
35 4A3 0.9746
36 2HO 0.9745
37 BPN 0.9745
38 FHB 0.9744
39 5CU 0.9743
40 4M0 0.9742
41 PBC 0.9738
42 3HM 0.9737
43 5NU 0.9736
44 FCR 0.9736
45 4NM 0.9732
46 INO 0.9731
47 93K 0.9726
48 P9P 0.9724
49 BAM 0.9723
50 MYJ 0.9719
51 6PC 0.9717
52 UNU 0.9715
53 FQI 0.9714
54 BZ3 0.9713
55 PNZ 0.9713
56 4WL 0.9707
57 YCP 0.9704
58 SN4 0.9703
59 QSC 0.9701
60 4ZA 0.9700
61 2K4 0.9696
62 OTR 0.9695
63 CHB 0.9689
64 9TW 0.9689
65 FBA 0.9686
66 5H1 0.9683
67 14O 0.9682
68 AC0 0.9681
69 5OB 0.9680
70 ABV 0.9678
71 F60 0.9676
72 NTN 0.9674
73 AAS 0.9671
74 5MI 0.9668
75 PHU 0.9668
76 RSO 0.9661
77 BE7 0.9660
78 6AI 0.9659
79 4JL 0.9658
80 2MI 0.9652
81 AX7 0.9650
82 FBS 0.9650
83 TSU 0.9649
84 SS1 0.9647
85 BNS 0.9646
86 QSB 0.9645
87 SAN 0.9644
88 NBZ 0.9643
89 JZ7 0.9643
90 PZA 0.9642
91 270 0.9642
92 IHB 0.9641
93 2AQ 0.9639
94 4J8 0.9639
95 ET2 0.9630
96 03V 0.9625
97 4FS 0.9623
98 11S 0.9619
99 VGL 0.9618
100 4JM 0.9618
101 CFI 0.9615
102 717 0.9612
103 IPB 0.9611
104 TH7 0.9610
105 5MB 0.9607
106 JB5 0.9605
107 ES5 0.9603
108 SRT 0.9603
109 5XC 0.9602
110 OCH 0.9599
111 COU 0.9598
112 GUA 0.9596
113 P92 0.9592
114 259 0.9592
115 ISZ 0.9590
116 M58 0.9590
117 H8N 0.9588
118 BZX 0.9581
119 H42 0.9581
120 FBB 0.9576
121 CLW 0.9575
122 XM0 0.9575
123 AMS 0.9572
124 TPA 0.9572
125 BHO 0.9569
126 OAA 0.9567
127 H4N 0.9565
128 K2T 0.9562
129 FK1 0.9560
130 FEH 0.9554
131 FAN 0.9552
132 ES9 0.9552
133 NIZ 0.9552
134 8WO 0.9548
135 MLT 0.9545
136 OK7 0.9544
137 M4T 0.9543
138 K34 0.9543
139 DHR 0.9542
140 36R 0.9542
141 AEF 0.9542
142 NPY 0.9539
143 TYL 0.9536
144 2CK 0.9536
145 QUZ 0.9532
146 ES2 0.9528
147 C2B 0.9528
148 XQ0 0.9527
149 SAL 0.9527
150 BE2 0.9526
151 2ZM 0.9523
152 AMC 0.9523
153 GJZ 0.9518
154 S2G 0.9516
155 1M2 0.9514
156 7WG 0.9511
157 3PF 0.9509
158 3ID 0.9506
159 5WV 0.9500
160 4JT 0.9499
161 67N 0.9496
162 DYA 0.9496
163 UGC 0.9493
164 PAC 0.9493
165 8NY 0.9489
166 0HN 0.9487
167 M3H 0.9485
168 6NI 0.9482
169 6RQ 0.9481
170 6NT 0.9481
171 3NY 0.9481
172 1P8 0.9479
173 0HO 0.9479
174 4XR 0.9479
175 FBM 0.9478
176 4FA 0.9476
177 YRL 0.9474
178 HY1 0.9474
179 2HU 0.9473
180 5NI 0.9473
181 TTL 0.9472
182 MS9 0.9471
183 PIY 0.9470
184 ODO 0.9470
185 4AA 0.9467
186 3U4 0.9465
187 MSR 0.9464
188 IT2 0.9463
189 5QY 0.9462
190 HC4 0.9462
191 4SV 0.9461
192 XIY 0.9460
193 RB5 0.9460
194 XYL 0.9460
195 ES7 0.9459
196 FYU 0.9458
197 TIU 0.9455
198 ES6 0.9454
199 VGD 0.9452
200 F9P 0.9451
201 M1A 0.9449
202 14J 0.9449
203 SKM 0.9449
204 KJH 0.9446
205 3A9 0.9445
206 1F1 0.9445
207 I1E 0.9442
208 PIM 0.9442
209 AL0 0.9442
210 5VM 0.9441
211 LMR 0.9441
212 PZM 0.9441
213 MQN 0.9438
214 GLU 0.9438
215 CXF 0.9434
216 JAW 0.9432
217 LDP 0.9431
218 PRO 0.9429
219 1PT 0.9428
220 D48 0.9426
221 TZF 0.9425
222 ABI 0.9423
223 LNR 0.9423
224 IFP 0.9422
225 4JQ 0.9422
226 SE2 0.9420
227 JKE 0.9420
228 KKN 0.9419
229 F9Y 0.9419
230 173 0.9417
231 2FY 0.9416
232 2BG 0.9414
233 GDE 0.9414
234 COI 0.9414
235 QY9 0.9414
236 3HB 0.9413
237 MRZ 0.9411
238 HMH 0.9411
239 BP9 0.9409
240 MZW 0.9409
241 7W1 0.9408
242 LCN 0.9408
243 DMD 0.9406
244 SYV 0.9406
245 7W4 0.9406
246 G3E 0.9405
247 X0V 0.9404
248 2A9 0.9403
249 F4E 0.9402
250 ISN 0.9400
251 5HN 0.9400
252 ZXD 0.9399
253 L99 0.9398
254 8ZE 0.9397
255 8H8 0.9396
256 I3E 0.9396
257 5QX 0.9395
258 SNU 0.9395
259 EHM 0.9395
260 C1M 0.9394
261 2FT 0.9393
262 1DJ 0.9393
263 J5I 0.9391
264 J9Q 0.9389
265 12Q 0.9387
266 86J 0.9387
267 DBH 0.9384
268 6FZ 0.9384
269 3AB 0.9381
270 CN0 0.9381
271 C21 0.9380
272 DHK 0.9380
273 4SX 0.9377
274 1SA 0.9377
275 HHA 0.9373
276 2RH 0.9373
277 3F0 0.9372
278 SEP 0.9372
279 BZ2 0.9372
280 JBE 0.9371
281 SS2 0.9371
282 HHH 0.9369
283 IFL 0.9369
284 8GC 0.9369
285 NOY 0.9367
286 M4S 0.9366
287 0TU 0.9365
288 CWJ 0.9363
289 FE DB1 0.9363
290 DEN 0.9362
291 MR1 0.9362
292 LZ1 0.9359
293 3NT 0.9359
294 4CS 0.9359
295 OVV 0.9358
296 RHU 0.9358
297 3M0 0.9357
298 FB2 0.9356
299 97T 0.9355
300 HX3 0.9355
301 LDU 0.9353
302 NDH 0.9352
303 BZI 0.9349
304 54D 0.9348
305 4FH 0.9347
306 OKG 0.9347
307 49F 0.9346
308 CPZ 0.9344
309 3HA 0.9342
310 94W 0.9342
311 AKG 0.9342
312 IND 0.9341
313 PMB 0.9341
314 BCU 0.9341
315 IF7 0.9341
316 HBX 0.9340
317 DE5 0.9339
318 4YO 0.9339
319 PYF 0.9338
320 E7Z 0.9337
321 EKZ 0.9336
322 JA8 0.9335
323 7WV 0.9335
324 HMU 0.9334
325 RBL 0.9334
326 JBK 0.9333
327 53C 0.9332
328 FPI 0.9332
329 ICB 0.9331
330 VNJ 0.9331
331 SHA 0.9330
332 CTL 0.9329
333 3BZ 0.9327
334 PEA 0.9326
335 BRT 0.9324
336 DGJ 0.9324
337 0R1 0.9322
338 KOJ 0.9322
339 ABN 0.9322
340 LT2 0.9322
341 PKU 0.9321
342 1DV 0.9321
343 3OC 0.9321
344 WCE 0.9321
345 1WD 0.9319
346 SYN 0.9319
347 L14 0.9316
348 ASO 0.9316
349 BSX 0.9315
350 6M9 0.9314
351 ASP 0.9314
352 36Y 0.9312
353 NBE 0.9309
354 NMJ 0.9309
355 HQT 0.9306
356 PY7 0.9306
357 TGX 0.9304
358 7N0 0.9304
359 4NB 0.9303
360 JB8 0.9301
361 QSH 0.9300
362 R8V 0.9299
363 EA1 0.9298
364 JDN 0.9298
365 4JC 0.9298
366 N2I 0.9297
367 J9N 0.9297
368 IDM 0.9294
369 ZZT 0.9294
370 JZ5 0.9292
371 FGZ 0.9291
372 268 0.9291
373 B57 0.9290
374 MPI 0.9290
375 BZF 0.9290
376 MXN 0.9290
377 4Z4 0.9289
378 NOJ 0.9289
379 AHR 0.9289
380 1MR 0.9288
381 265 0.9287
382 2HQ 0.9283
383 PZI 0.9281
384 PCA 0.9281
385 XUL 0.9279
386 282 0.9278
387 R2B 0.9278
388 4JU 0.9277
389 GYE 0.9275
390 2PC 0.9274
391 HYP 0.9274
392 GVH 0.9273
393 TZC 0.9273
394 SKA 0.9272
395 5LA 0.9270
396 BDP 0.9270
397 FBJ 0.9268
398 OXZ 0.9268
399 2MH 0.9268
400 F05 0.9263
401 60P 0.9263
402 IV2 0.9261
403 PYC 0.9260
404 24B 0.9260
405 N2Z 0.9259
406 UY7 0.9259
407 3DO 0.9259
408 XRG 0.9258
409 JZ9 0.9258
410 G2F 0.9257
411 DHS 0.9255
412 FP1 0.9254
413 3SK 0.9254
414 RBJ 0.9253
415 TP5 0.9251
416 KBZ 0.9251
417 9CL 0.9251
418 RAT 0.9250
419 DIN 0.9249
420 URS 0.9248
421 J9T 0.9246
422 URO 0.9246
423 GGL 0.9245
424 BML 0.9244
425 HIS 0.9241
426 0RW 0.9240
427 KJU 0.9238
428 RNO 0.9238
429 RIB 0.9234
430 PEL 0.9233
431 GLN 0.9232
432 6M4 0.9230
433 NYL 0.9230
434 ASN 0.9227
435 IFM 0.9225
436 FOA 0.9225
437 3MB 0.9223
438 OGA 0.9223
439 OVM 0.9222
440 R8S 0.9221
441 8K2 0.9221
442 3DM 0.9220
443 0CT 0.9220
444 MNN 0.9220
445 SPA 0.9220
446 5GU 0.9219
447 HSO 0.9219
448 PXL 0.9219
449 JBN 0.9219
450 SNO 0.9218
451 1DW 0.9214
452 XBT 0.9214
453 GAG 0.9213
454 SMV 0.9212
455 4HP 0.9211
456 9EW 0.9210
457 KDV 0.9210
458 HLR 0.9208
459 2HG 0.9208
460 FA1 0.9208
461 4CH 0.9207
462 RMN 0.9207
463 3QM 0.9206
464 G4D 0.9204
465 4XV 0.9203
466 PCR 0.9202
467 ZBT 0.9202
468 HQE 0.9201
469 52C 0.9201
470 QMP 0.9201
471 SJ5 0.9201
472 NSP 0.9200
473 AHB 0.9200
474 DGN 0.9199
475 PXY 0.9196
476 69O 0.9196
477 ASC 0.9195
478 SMN 0.9195
479 MAE 0.9195
480 MRY 0.9194
481 FPY 0.9191
482 M45 0.9191
483 7MU 0.9188
484 VNL 0.9188
485 DS0 0.9188
486 273 0.9186
487 IXW 0.9186
488 QXW 0.9184
489 M6W 0.9184
490 9FL 0.9181
491 2LP 0.9180
492 5AC 0.9179
493 4VY 0.9179
494 SVN 0.9178
495 A7W 0.9177
496 BEA 0.9177
497 LG4 0.9177
498 3SL 0.9177
499 KTA 0.9177
500 ADA 0.9175
501 GLC 0.9174
502 FPN 0.9172
503 HPS 0.9172
504 HSE 0.9171
505 RNS 0.9170
506 QWN 0.9169
507 4HS 0.9169
508 A5E 0.9167
509 GZL 0.9167
510 FUD 0.9167
511 23A 0.9166
512 15E 0.9166
513 ORN 0.9163
514 NK 0.9162
515 NCT 0.9162
516 PRS 0.9162
517 GAL 0.9161
518 BGC 0.9160
519 GRE 0.9159
520 ESX 0.9158
521 HSM 0.9157
522 MRW 0.9156
523 069 0.9155
524 1DU 0.9155
525 PLQ 0.9154
526 1IT 0.9153
527 DA1 0.9153
528 25R 0.9153
529 DGL 0.9153
530 PEP 0.9150
531 9CA 0.9149
532 15N 0.9148
533 449 0.9148
534 258 0.9148
535 1P7 0.9147
536 PO6 0.9147
537 4JN 0.9146
538 1SQ 0.9144
539 I3A 0.9143
540 FB1 0.9143
541 A29 0.9142
542 A7N 0.9141
543 4JP 0.9140
544 XYP 0.9140
545 9RW 0.9139
546 0JD 0.9138
547 HX2 0.9138
548 ICF 0.9137
549 FBV 0.9136
550 GBD 0.9134
551 5RN 0.9132
552 F31 0.9132
553 1LQ 0.9130
554 E7S 0.9130
555 HCS 0.9130
556 WOT 0.9130
557 JBH 0.9129
558 GTR 0.9129
559 2F6 0.9129
560 5XB 0.9129
561 AEG 0.9129
562 DHI 0.9128
563 5SG 0.9127
564 261 0.9126
565 6M1 0.9123
566 Q88 0.9123
567 ES0 0.9123
568 OHG 0.9123
569 TH0 0.9122
570 J6W 0.9122
571 7HQ 0.9120
572 YPN 0.9120
573 5IQ 0.9119
574 L3Q 0.9119
575 B24 0.9119
576 LXC 0.9118
577 CWM 0.9117
578 DX4 0.9117
579 HH5 0.9117
580 KMT 0.9116
581 ILE 0.9116
582 N5J 0.9115
583 MET 0.9115
584 KTJ 0.9115
585 B85 0.9113
586 3BU 0.9113
587 5B1 0.9111
588 QIC 0.9111
589 OXQ 0.9110
590 J9W 0.9109
591 6GU 0.9109
592 5Q0 0.9107
593 JPZ 0.9107
594 FDB 0.9107
595 HQY 0.9106
596 2D0 0.9106
597 SME 0.9106
598 0R0 0.9105
599 IWT 0.9105
600 GLL 0.9104
601 TLA 0.9103
602 IOL 0.9101
603 GTQ 0.9101
604 ES1 0.9099
605 0P6 0.9099
606 24W 0.9099
607 SIN 0.9099
608 51R 0.9098
609 PEQ 0.9098
610 XLS 0.9098
611 4YS 0.9097
612 36E 0.9096
613 HQJ 0.9095
614 Q24 0.9094
615 8OZ 0.9094
616 1P3 0.9093
617 PBA 0.9092
618 AZF 0.9091
619 ICO 0.9089
620 82I 0.9089
621 HHI 0.9089
622 9X7 0.9088
623 5RG 0.9088
624 FUM 0.9086
625 UNJ 0.9086
626 ESP 0.9085
627 CWS 0.9085
628 0V5 0.9085
629 B53 0.9084
630 12T 0.9084
631 LPK 0.9084
632 JAB 0.9083
633 92K 0.9082
634 4XS 0.9082
635 40E 0.9081
636 0BP 0.9079
637 4XH 0.9078
638 XAN 0.9078
639 URP 0.9078
640 TAR 0.9078
641 AZA 0.9077
642 URF 0.9077
643 0VT 0.9077
644 8CM 0.9075
645 9R5 0.9075
646 PYJ 0.9075
647 M6N 0.9074
648 7VP 0.9074
649 RM1 0.9074
650 MEV 0.9074
651 45L 0.9072
652 HH8 0.9070
653 AZ8 0.9070
654 NLE 0.9070
655 1NP 0.9070
656 G3F 0.9069
657 6F0 0.9066
658 MCT 0.9066
659 GWM 0.9065
660 A09 0.9063
661 2HC 0.9062
662 MEW 0.9061
663 GVG 0.9061
664 BTY 0.9056
665 GUN 0.9056
666 QBK 0.9055
667 UFV 0.9054
668 APY 0.9053
669 WBU 0.9052
670 75K 0.9052
671 SD4 0.9052
672 KUF 0.9050
673 1MC 0.9048
674 M5K 0.9047
675 KMH 0.9047
676 TDR 0.9046
677 M2K 0.9045
678 MWM 0.9044
679 R8A 0.9044
680 OHP 0.9042
681 HY3 0.9041
682 GCU 0.9039
683 TAG 0.9039
684 AZ9 0.9037
685 0CU 0.9037
686 9DG 0.9037
687 AQO 0.9036
688 2AC 0.9035
689 TFB 0.9035
690 SVD 0.9034
691 XYD 0.9033
692 JZ2 0.9033
693 GZ3 0.9031
694 3HG 0.9029
695 L5V 0.9028
696 S7J 0.9028
697 6AP 0.9027
698 9TZ 0.9027
699 13P 0.9027
700 E1T 0.9026
701 OW4 0.9026
702 GIF 0.9026
703 R9S 0.9026
704 10L 0.9025
705 K5W 0.9025
706 YH7 0.9025
707 4CL 0.9025
708 3PG 0.9025
709 141 0.9024
710 SPV 0.9023
711 1XM 0.9023
712 XXG 0.9023
713 4HM 0.9023
714 34A 0.9022
715 TWO 0.9022
716 XBZ 0.9021
717 HPA 0.9019
718 9YL 0.9019
719 5UC 0.9018
720 M1Q 0.9018
721 1LN 0.9018
722 3FH 0.9017
723 URC 0.9016
724 FBW 0.9016
725 R9Y 0.9016
726 4JJ 0.9015
727 TEO 0.9014
728 XCZ 0.9013
729 MZG 0.9012
730 GLA 0.9012
731 PE0 0.9011
732 RSF 0.9011
733 2AL 0.9010
734 271 0.9010
735 2ZV 0.9009
736 5JC 0.9009
737 J1Z 0.9008
738 SOE 0.9008
739 2BX 0.9007
740 1CO 0.9007
741 ICP 0.9006
742 X6X 0.9005
743 CFP 0.9003
744 152 0.9003
745 GCS 0.9003
746 PYD 0.9001
747 5RO 0.9000
748 HQD 0.8999
749 HX4 0.8999
750 A1U 0.8997
751 DAS 0.8997
752 5JQ 0.8996
753 NF3 0.8996
754 BNF 0.8996
755 5MH 0.8995
756 RUY 0.8995
757 ADE 0.8995
758 4HO 0.8994
759 2MP 0.8994
760 XAZ 0.8993
761 GLY GLY 0.8993
762 54G 0.8991
763 GXL 0.8991
764 SWA 0.8991
765 F81 0.8989
766 43M 0.8988
767 AJ2 0.8987
768 PG3 0.8987
769 KT7 0.8986
770 6CS 0.8986
771 TZE 0.8986
772 1GN 0.8985
773 15L 0.8984
774 9DA 0.8984
775 4ZE 0.8983
776 PGH 0.8982
777 AZG 0.8980
778 5M0 0.8979
779 A2F 0.8979
780 BNL 0.8979
781 AW5 0.8978
782 FBF 0.8978
783 GXY 0.8977
784 42J 0.8977
785 428 0.8977
786 1GP 0.8977
787 5MK 0.8975
788 BR9 0.8974
789 B62 0.8974
790 0FN 0.8972
791 O72 0.8970
792 BP1 0.8970
793 3V4 0.8969
794 290 0.8968
795 275 0.8967
796 GAF 0.8967
797 7B4 0.8966
798 ADZ 0.8966
799 TYE 0.8965
800 3XX 0.8964
801 KJY 0.8964
802 IOM 0.8964
803 CRN 0.8964
804 4HC 0.8962
805 PJW 0.8962
806 3Z8 0.8962
807 ALL 0.8962
808 MPV 0.8961
809 SX1 0.8960
810 QWW 0.8960
811 6KT 0.8960
812 HT4 0.8959
813 286 0.8959
814 QOS 0.8959
815 4P0 0.8959
816 ORO 0.8957
817 7HP 0.8956
818 4JO 0.8956
819 LR5 0.8955
820 IGA 0.8955
821 Z5P 0.8955
822 3IT 0.8954
823 44W 0.8954
824 8S0 0.8953
825 MWJ 0.8951
826 GP9 0.8951
827 1Z6 0.8951
828 DHY 0.8951
829 Z13 0.8951
830 H62 0.8951
831 34D 0.8949
832 B55 0.8948
833 3ZB 0.8948
834 GCB 0.8947
835 PRY 0.8947
836 JZ4 0.8947
837 6TZ 0.8946
838 2PG 0.8946
839 4BY 0.8944
840 27Y 0.8944
841 2EC 0.8944
842 42A 0.8943
843 DOR 0.8942
844 PQK 0.8942
845 TM7 0.8941
846 9ZE 0.8941
847 LZM 0.8940
848 PA1 0.8940
849 6MP 0.8939
850 QX2 0.8939
851 2QC 0.8939
852 WOO 0.8939
853 MAJ 0.8937
854 JZ1 0.8937
855 F0J 0.8936
856 LGC 0.8935
857 OXC 0.8934
858 P3K 0.8934
859 9FE 0.8934
860 EQT 0.8933
861 AGK 0.8933
862 IUR 0.8932
863 51F 0.8932
864 R20 0.8931
865 9HX 0.8930
866 FK8 0.8930
867 PRA 0.8930
868 149 0.8930
869 2YU 0.8928
870 F1A 0.8928
871 K97 0.8928
872 39O 0.8927
873 N8Y 0.8926
874 92P 0.8926
875 23W 0.8926
876 7WA 0.8925
877 OTW 0.8925
878 0N7 0.8922
879 1LM 0.8921
880 CH9 0.8921
881 8WT 0.8919
882 CEE 0.8919
883 0TR 0.8917
884 FBT 0.8917
885 4SD 0.8917
886 V55 0.8915
887 MAH 0.8911
888 F4K 0.8910
889 PH3 0.8910
890 4TU 0.8909
891 GOJ 0.8909
892 2AS 0.8908
893 PMF 0.8908
894 IZC 0.8908
895 2H5 0.8907
896 8TX 0.8906
897 PHE 0.8905
898 2FG 0.8905
899 DTU 0.8905
900 XHP 0.8904
901 SOR 0.8903
902 1A7 0.8902
903 6ME 0.8902
904 GIV 0.8900
905 1DQ 0.8899
906 0W8 0.8899
907 D1X 0.8899
908 MNM 0.8899
909 0F9 0.8898
910 4BL 0.8898
911 AES 0.8898
912 IMR 0.8896
913 DFB 0.8895
914 LEU 0.8890
915 FUL 0.8889
916 EVA 0.8889
917 YIO 0.8887
918 BOA 0.8886
919 FCA 0.8886
920 I4B 0.8886
921 AN3 0.8885
922 8XL 0.8885
923 TLD 0.8884
924 HA5 0.8884
925 H4E 0.8883
926 TTY 0.8883
927 CTS 0.8883
928 AJV 0.8881
929 NQ 0.8881
930 PM6 0.8881
931 EUG 0.8881
932 R1X 0.8881
933 TCA 0.8881
934 OVP 0.8880
935 23J 0.8880
936 IP0 0.8880
937 Q02 0.8879
938 FDR 0.8878
939 N3W 0.8878
940 FH2 0.8878
941 NK2 0.8877
942 5JL 0.8874
943 IDH 0.8874
944 DQU 0.8873
945 44V 0.8873
946 4RU 0.8871
947 MAN 0.8871
948 KYD 0.8870
949 C2Y 0.8869
950 BCP 0.8868
951 1KP 0.8867
952 1WG 0.8866
953 FDK 0.8866
954 2AK 0.8865
955 0OC 0.8865
956 H95 0.8865
957 VK3 0.8864
958 G3H 0.8864
959 4M4 0.8863
960 FA3 0.8862
961 JFJ 0.8861
962 Q6T 0.8860
963 Y8I 0.8857
964 NID 0.8855
965 G3P 0.8855
966 PQ0 0.8854
967 GJP 0.8853
968 2CQ 0.8853
969 HCI 0.8851
970 CXP 0.8849
971 1HN 0.8848
972 RXA 0.8848
973 ONR 0.8848
974 EN1 0.8847
975 DFU 0.8847
976 INE 0.8845
977 2LY 0.8843
978 CSS 0.8843
979 X05 0.8843
980 APG 0.8842
981 0MK 0.8842
982 R67 0.8842
983 PPY 0.8841
984 150 0.8838
985 SLS 0.8837
986 HDA 0.8836
987 MVN 0.8834
988 3AE 0.8834
989 ESI 0.8834
990 RIP 0.8830
991 PYQ 0.8829
992 X1S 0.8828
993 ES4 0.8827
994 PRF 0.8825
995 XYS 0.8824
996 37T 0.8823
997 VXX 0.8823
998 DVQ 0.8823
999 PBE 0.8819
1000 FHC 0.8817
1001 HJP 0.8816
1002 4MV 0.8814
1003 XDE 0.8813
1004 3HP 0.8813
1005 Q07 0.8811
1006 BTE 0.8810
1007 MAK 0.8810
1008 PGA 0.8810
1009 PD2 0.8809
1010 DHQ 0.8809
1011 0FO 0.8807
1012 DTL 0.8807
1013 FUC 0.8806
1014 T2C 0.8806
1015 JG8 0.8804
1016 QX4 0.8804
1017 DBX 0.8801
1018 PRZ 0.8799
1019 E4P 0.8798
1020 KIV 0.8798
1021 BVC 0.8795
1022 MUA 0.8794
1023 A13 0.8793
1024 4NZ 0.8791
1025 PDC 0.8789
1026 AKH 0.8785
1027 IAC 0.8785
1028 G6D 0.8785
1029 3C4 0.8784
1030 A7H 0.8780
1031 RUU 0.8777
1032 8IG 0.8772
1033 PC 0.8772
1034 2FQ 0.8770
1035 7NI 0.8770
1036 TT4 0.8770
1037 42C 0.8768
1038 AM4 0.8768
1039 DRL 0.8767
1040 TSS 0.8767
1041 7CZ 0.8766
1042 ABE 0.8766
1043 25W 0.8764
1044 SRO 0.8763
1045 4MU 0.8762
1046 GF4 0.8761
1047 C2A 0.8761
1048 45C 0.8760
1049 32X 0.8760
1050 EVF 0.8760
1051 NVI 0.8760
1052 X0U 0.8759
1053 MT0 0.8756
1054 FOT 0.8756
1055 M4E 0.8755
1056 JND 0.8755
1057 SHG 0.8753
1058 3W8 0.8752
1059 7WR 0.8751
1060 7ME 0.8749
1061 1XN 0.8747
1062 8NB 0.8747
1063 JFD 0.8746
1064 KBB 0.8746
1065 ARB 0.8745
1066 4JE 0.8741
1067 OMD 0.8741
1068 EYK 0.8740
1069 27B 0.8740
1070 PXM 0.8739
1071 0W1 0.8738
1072 680 0.8736
1073 86L 0.8736
1074 XIZ 0.8735
1075 280 0.8735
1076 TOF 0.8733
1077 S24 0.8732
1078 F4Z 0.8732
1079 SWD 0.8728
1080 T9G 0.8727
1081 NAG 0.8727
1082 ZYX 0.8724
1083 YZM 0.8724
1084 APZ 0.8723
1085 CIT 0.8723
1086 BVG 0.8721
1087 PEY 0.8719
1088 MZB 0.8718
1089 DQY 0.8715
1090 S76 0.8715
1091 ZYR 0.8712
1092 35C 0.8712
1093 7MH 0.8711
1094 495 0.8710
1095 PPT 0.8710
1096 MWP 0.8709
1097 T6C 0.8709
1098 TC7 0.8705
1099 2DR 0.8704
1100 RAM 0.8704
1101 DIU 0.8701
1102 4CM 0.8700
1103 P4B 0.8700
1104 47J 0.8696
1105 UNC 0.8695
1106 HZQ 0.8694
1107 M2H 0.8694
1108 JF6 0.8693
1109 25T 0.8691
1110 ECE 0.8688
1111 PH2 0.8687
1112 DEE 0.8685
1113 4LW 0.8685
1114 JIF 0.8685
1115 4V2 0.8684
1116 DNF 0.8683
1117 S0E 0.8682
1118 MZ0 0.8682
1119 IJZ 0.8679
1120 KVP 0.8679
1121 C2U 0.8674
1122 BMA 0.8671
1123 GIO 0.8671
1124 MLA 0.8671
1125 3YP 0.8669
1126 HVQ 0.8668
1127 JBQ 0.8666
1128 EXD 0.8666
1129 36M 0.8664
1130 FLC 0.8663
1131 VAL 0.8663
1132 6VD 0.8662
1133 535 0.8661
1134 3WA 0.8659
1135 8W9 0.8658
1136 1L5 0.8658
1137 4I8 0.8657
1138 FBU 0.8655
1139 EGR 0.8653
1140 1DH 0.8651
1141 FLA 0.8649
1142 7VS 0.8647
1143 P2D 0.8647
1144 3RK 0.8646
1145 9MG 0.8645
1146 SC2 0.8645
1147 3QV 0.8643
1148 1WC 0.8642
1149 PYG 0.8636
1150 M1E 0.8635
1151 M0W 0.8632
1152 4ZC 0.8631
1153 MLI 0.8630
1154 2CL 0.8629
1155 CFF 0.8628
1156 BZJ 0.8627
1157 KTW 0.8624
1158 F12 0.8623
1159 AJY 0.8622
1160 OQC 0.8622
1161 A65 0.8617
1162 2MN 0.8617
1163 4ME 0.8614
1164 P9E 0.8612
1165 GXE 0.8611
1166 MZT 0.8610
1167 F5B 0.8605
1168 CRS 0.8604
1169 4XX 0.8604
1170 BPY 0.8603
1171 ABU 0.8599
1172 TMZ 0.8597
1173 TEP 0.8596
1174 TBP 0.8594
1175 N4E 0.8594
1176 9TY 0.8588
1177 CXL 0.8588
1178 XXP 0.8584
1179 GVY 0.8579
1180 GNM 0.8575
1181 7MX 0.8573
1182 MBG 0.8567
1183 HAI 0.8565
1184 DMG 0.8562
1185 5VL 0.8561
1186 CYH 0.8556
1187 284 0.8551
1188 M0Q 0.8547
1189 QBM 0.8544
1190 TBS 0.8532
1191 1XA 0.8513
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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