Receptor
PDB id Resolution Class Description Source Keywords
2BMR 1.5 Å EC: 1.-.-.- THE CRYSTAL STRUCTURE OF NITROBENZENE DIOXYGENASE IN COMPLEX NITROTOLUENE COMAMONAS SP. NITROBENZENE DIOXYGENASE NITROARENE RIESKE NON-HEME DIOXYGSUBSTRATE SPECIFICITY IRON-SULFUR METAL-BINDING NAD OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHT INTO THE DIOXYGENATION OF NITROA COMPOUNDS: THE CRYSTAL STRUCTURE OF NITROBENZENE DIOXYGENASE. J. MOL. BIOL. V. 348 1139 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3NT A:1442;
 Valid;
 none;
 submit data
137.136 C7 H7 N O2 Cc1cc...
EDO A:1443;
A:1444;
A:1445;
B:1197;
B:1198;
B:1199;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
EOH A:1446;
A:1447;
A:1448;
A:1449;
A:1450;
B:1200;
B:1201;
B:1202;
B:1203;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
46.068 C2 H6 O CCO
FE A:1441;
 Part of Protein;
 none;
 submit data
55.845 Fe [Fe+3...
FES A:1440;
 Part of Protein;
 none;
 submit data
175.82 Fe2 S2 S1[Fe...
NI B:1195;
B:1196;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BMR 1.5 Å EC: 1.-.-.- THE CRYSTAL STRUCTURE OF NITROBENZENE DIOXYGENASE IN COMPLEX NITROTOLUENE COMAMONAS SP. NITROBENZENE DIOXYGENASE NITROARENE RIESKE NON-HEME DIOXYGSUBSTRATE SPECIFICITY IRON-SULFUR METAL-BINDING NAD OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHT INTO THE DIOXYGENATION OF NITROA COMPOUNDS: THE CRYSTAL STRUCTURE OF NITROBENZENE DIOXYGENASE. J. MOL. BIOL. V. 348 1139 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 2BMR - 3NT C7 H7 N O2 Cc1cccc(c1....
2 2BMQ - NBZ C6 H5 N O2 c1ccc(cc1)....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BMR - 3NT C7 H7 N O2 Cc1cccc(c1....
2 2BMQ - NBZ C6 H5 N O2 c1ccc(cc1)....
3 1O7G - NPY C10 H8 c1ccc2cccc....
4 2HMM - AN3 C14 H10 c1ccc2cc3c....
5 1UUV - IND C8 H7 N c1ccc2c(c1....
6 2HMO - 3NT C7 H7 N O2 Cc1cccc(c1....
7 2HML - PEY C14 H10 c1ccc2c(c1....
8 1EG9 - IND C8 H7 N c1ccc2c(c1....
9 1O7N - IND C8 H7 N c1ccc2c(c1....
10 2HMK - PEY C14 H10 c1ccc2c(c1....
11 2HMN - AN3 C14 H10 c1ccc2cc3c....
12 1O7P - NDH C10 H10 O2 c1ccc2c(c1....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BMR - 3NT C7 H7 N O2 Cc1cccc(c1....
2 2BMQ - NBZ C6 H5 N O2 c1ccc(cc1)....
3 1O7G - NPY C10 H8 c1ccc2cccc....
4 2HMM - AN3 C14 H10 c1ccc2cc3c....
5 1UUV - IND C8 H7 N c1ccc2c(c1....
6 2HMO - 3NT C7 H7 N O2 Cc1cccc(c1....
7 2HML - PEY C14 H10 c1ccc2c(c1....
8 1EG9 - IND C8 H7 N c1ccc2c(c1....
9 1O7N - IND C8 H7 N c1ccc2c(c1....
10 2HMK - PEY C14 H10 c1ccc2c(c1....
11 2HMN - AN3 C14 H10 c1ccc2cc3c....
12 1O7P - NDH C10 H10 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3NT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 3NT 1 1
2 NBZ 0.40625 0.961538
Similar Ligands (3D)
Ligand no: 1; Ligand: 3NT; Similar ligands found: 1341
No: Ligand Similarity coefficient
1 3HB 1.0000
2 GAB 1.0000
3 4CS 1.0000
4 WCE 1.0000
5 5HN 1.0000
6 NMJ 1.0000
7 3AB 1.0000
8 8GC 1.0000
9 53C 1.0000
10 OVV 0.9992
11 3BZ 0.9977
12 3OC 0.9970
13 BRT 0.9969
14 1P3 0.9819
15 GTQ 0.9794
16 P9P 0.9792
17 4NC 0.9781
18 XX2 0.9771
19 OVM 0.9770
20 3MB 0.9760
21 6PC 0.9753
22 DHB 0.9745
23 BEN 0.9737
24 MYJ 0.9737
25 HHA 0.9736
26 ORO 0.9728
27 6CS 0.9728
28 YCP 0.9726
29 5M0 0.9720
30 CHB 0.9719
31 9TW 0.9718
32 54G 0.9718
33 J9T 0.9714
34 3HM 0.9712
35 BEZ 0.9710
36 5RG 0.9709
37 7MU 0.9709
38 DOR 0.9706
39 NIO 0.9706
40 4A3 0.9702
41 GYE 0.9701
42 AW5 0.9698
43 UNU 0.9696
44 NCA 0.9696
45 3F0 0.9694
46 OW4 0.9692
47 BAM 0.9692
48 FHB 0.9691
49 INO 0.9689
50 QSB 0.9686
51 NNO 0.9685
52 93K 0.9681
53 OXC 0.9680
54 PBC 0.9680
55 JLZ 0.9679
56 2HO 0.9676
57 34D 0.9670
58 3M0 0.9666
59 QSC 0.9661
60 3HA 0.9661
61 DBH 0.9654
62 5MK 0.9654
63 PZA 0.9652
64 9TZ 0.9651
65 6M9 0.9647
66 JBK 0.9645
67 MLT 0.9645
68 6M4 0.9644
69 FE DB1 0.9643
70 IHB 0.9638
71 51R 0.9635
72 SAL 0.9633
73 D1X 0.9632
74 BE7 0.9629
75 2AL 0.9628
76 3DO 0.9627
77 SS1 0.9627
78 NTN 0.9625
79 AC0 0.9621
80 069 0.9617
81 SX1 0.9614
82 5OB 0.9614
83 BE2 0.9605
84 FBW 0.9604
85 OAA 0.9602
86 45L 0.9601
87 DHK 0.9599
88 BNS 0.9596
89 M58 0.9595
90 VGL 0.9594
91 JZ7 0.9589
92 1P7 0.9584
93 0RW 0.9582
94 3ID 0.9579
95 OVP 0.9567
96 ASC 0.9565
97 5H1 0.9562
98 VNJ 0.9561
99 4SV 0.9555
100 M1E 0.9554
101 XCZ 0.9553
102 5MB 0.9551
103 LMR 0.9549
104 PZI 0.9548
105 GUN 0.9548
106 14O 0.9547
107 2K4 0.9546
108 6AI 0.9546
109 SJ5 0.9544
110 BZX 0.9542
111 F60 0.9542
112 C2A 0.9537
113 RM1 0.9536
114 SKM 0.9536
115 5B1 0.9534
116 GZL 0.9534
117 SVN 0.9534
118 JFJ 0.9530
119 5MI 0.9527
120 AHR 0.9527
121 14J 0.9524
122 ES6 0.9524
123 IFM 0.9523
124 9EW 0.9522
125 N5J 0.9521
126 PCA 0.9518
127 VNL 0.9517
128 IT2 0.9515
129 DMD 0.9513
130 F05 0.9513
131 HPA 0.9511
132 CFI 0.9511
133 DYA 0.9509
134 BZ3 0.9508
135 5SG 0.9507
136 ES9 0.9504
137 R8S 0.9499
138 5IQ 0.9499
139 XQ0 0.9499
140 F9P 0.9497
141 ADE 0.9497
142 11S 0.9495
143 H42 0.9495
144 RSO 0.9492
145 I3A 0.9491
146 GIF 0.9488
147 2CK 0.9488
148 7HP 0.9486
149 7B4 0.9486
150 UGC 0.9485
151 BHO 0.9483
152 3U4 0.9482
153 9DG 0.9476
154 RSF 0.9474
155 F31 0.9471
156 H4N 0.9470
157 1LQ 0.9470
158 AMC 0.9468
159 ADZ 0.9466
160 XYL 0.9465
161 DBJ 0.9464
162 ISZ 0.9464
163 XAN 0.9463
164 23A 0.9462
165 LT2 0.9461
166 Q88 0.9461
167 FK1 0.9460
168 AGK 0.9459
169 M1H 0.9459
170 HY1 0.9458
171 AZA 0.9457
172 JKE 0.9456
173 1NP 0.9456
174 DHS 0.9455
175 2A7 0.9454
176 JZ9 0.9454
177 1DW 0.9453
178 2RH 0.9449
179 4JT 0.9447
180 IGA 0.9447
181 FOT 0.9446
182 IJZ 0.9443
183 FQI 0.9441
184 1SQ 0.9441
185 COU 0.9441
186 2AQ 0.9440
187 AZG 0.9439
188 GDE 0.9439
189 UNC 0.9439
190 SRT 0.9439
191 OXZ 0.9437
192 10L 0.9437
193 4XH 0.9437
194 42A 0.9436
195 6MP 0.9435
196 HH8 0.9434
197 AL0 0.9433
198 KOJ 0.9432
199 KKN 0.9430
200 LZM 0.9429
201 HIS 0.9427
202 JB5 0.9425
203 5RN 0.9425
204 YH7 0.9424
205 ES1 0.9423
206 NPY 0.9423
207 141 0.9422
208 A13 0.9421
209 EA1 0.9421
210 JPZ 0.9420
211 PHU 0.9420
212 5Q0 0.9418
213 A2F 0.9417
214 IND 0.9417
215 FAN 0.9417
216 7WG 0.9416
217 THE 0.9416
218 FBM 0.9413
219 7VS 0.9410
220 NIZ 0.9410
221 QUZ 0.9409
222 SHA 0.9408
223 HSO 0.9408
224 OCH 0.9408
225 ES0 0.9407
226 Q6T 0.9407
227 7HQ 0.9406
228 QSH 0.9405
229 M0Q 0.9404
230 PRO 0.9404
231 LNR 0.9404
232 5WV 0.9404
233 MRZ 0.9403
234 AX7 0.9402
235 L99 0.9401
236 4YS 0.9401
237 PDC 0.9401
238 9DA 0.9401
239 4FS 0.9401
240 6AP 0.9400
241 PM6 0.9398
242 8NY 0.9398
243 NPO 0.9396
244 ISN 0.9396
245 GAG 0.9396
246 3XX 0.9395
247 FGZ 0.9394
248 9HX 0.9393
249 7NI 0.9393
250 5XC 0.9392
251 IDM 0.9391
252 5AC 0.9391
253 QWN 0.9391
254 DBX 0.9390
255 24W 0.9390
256 I1E 0.9389
257 F0J 0.9389
258 AKH 0.9389
259 CN0 0.9388
260 270 0.9388
261 BOA 0.9387
262 M4T 0.9387
263 FEH 0.9386
264 03V 0.9386
265 TH7 0.9384
266 VGD 0.9383
267 II6 0.9383
268 HBX 0.9383
269 HQY 0.9382
270 7WA 0.9381
271 M6N 0.9381
272 1XM 0.9380
273 DEN 0.9379
274 ES2 0.9378
275 COI 0.9378
276 86J 0.9378
277 GLC 0.9378
278 HLZ 0.9376
279 BP1 0.9376
280 IFP 0.9375
281 PBZ 0.9375
282 ASO 0.9374
283 PHB 0.9374
284 C2U 0.9374
285 EYK 0.9372
286 ZZ3 0.9372
287 LZ1 0.9372
288 36R 0.9372
289 FYU 0.9372
290 2DR 0.9370
291 HJP 0.9369
292 2HQ 0.9368
293 HY3 0.9368
294 4XR 0.9366
295 TIU 0.9366
296 3PF 0.9366
297 MR1 0.9365
298 4P5 0.9364
299 KBB 0.9363
300 AZ8 0.9363
301 BZI 0.9363
302 282 0.9363
303 GBD 0.9362
304 4FH 0.9361
305 MPI 0.9361
306 S76 0.9361
307 ABN 0.9361
308 ES5 0.9361
309 URC 0.9360
310 MEW 0.9360
311 PAB 0.9359
312 9MG 0.9357
313 BTE 0.9355
314 1PT 0.9355
315 CWM 0.9355
316 BZF 0.9355
317 1WD 0.9354
318 M5K 0.9354
319 TPA 0.9353
320 OXQ 0.9352
321 CFP 0.9352
322 ES7 0.9352
323 PE0 0.9350
324 42C 0.9349
325 ICO 0.9347
326 AJ2 0.9347
327 1P8 0.9346
328 7WV 0.9346
329 5NU 0.9343
330 ABV 0.9341
331 XM0 0.9341
332 4ZC 0.9341
333 0W8 0.9337
334 OW7 0.9337
335 G3E 0.9337
336 ES4 0.9336
337 FA0 0.9336
338 5CU 0.9335
339 2MI 0.9334
340 HIO 0.9333
341 HBD 0.9333
342 290 0.9333
343 HMH 0.9333
344 JA8 0.9331
345 FBB 0.9331
346 DX4 0.9331
347 MXN 0.9330
348 0R1 0.9329
349 QXW 0.9329
350 MNN 0.9329
351 BGC 0.9329
352 4HM 0.9328
353 KT7 0.9327
354 5JQ 0.9325
355 DIN 0.9325
356 FPI 0.9325
357 AC6 0.9324
358 3Z7 0.9323
359 CXF 0.9322
360 CLW 0.9322
361 X0V 0.9320
362 BCP 0.9319
363 HX3 0.9318
364 OK7 0.9315
365 0CT 0.9315
366 HMU 0.9314
367 F81 0.9314
368 RIB 0.9314
369 HQJ 0.9314
370 SYN 0.9314
371 DOB 0.9314
372 L3Q 0.9313
373 3R6 0.9313
374 3FH 0.9311
375 4Z4 0.9311
376 GVH 0.9311
377 E7Z 0.9309
378 K5W 0.9308
379 M2K 0.9306
380 EUG 0.9305
381 4M4 0.9305
382 C21 0.9305
383 HLR 0.9303
384 47J 0.9302
385 XQG 0.9301
386 4AA 0.9301
387 3AL 0.9301
388 1XN 0.9301
389 60P 0.9300
390 4HC 0.9300
391 Z6J 0.9299
392 XUL 0.9299
393 MUA 0.9299
394 1Y6 0.9298
395 PYF 0.9298
396 DRL 0.9298
397 P72 0.9297
398 G2F 0.9296
399 AQO 0.9295
400 P3K 0.9292
401 A7W 0.9292
402 JBE 0.9292
403 XYP 0.9291
404 EKZ 0.9289
405 XAZ 0.9288
406 9CL 0.9288
407 TP5 0.9287
408 DIU 0.9287
409 PRS 0.9286
410 EDR 0.9286
411 826 0.9286
412 ASP 0.9285
413 LCN 0.9284
414 M1A 0.9284
415 75K 0.9284
416 4MA 0.9283
417 ET2 0.9282
418 PYC 0.9281
419 NBE 0.9280
420 SW7 0.9280
421 150 0.9279
422 GLY GLY 0.9278
423 3IT 0.9278
424 DFB 0.9276
425 FBU 0.9276
426 BDP 0.9275
427 1WG 0.9275
428 FB2 0.9275
429 PY7 0.9274
430 GJZ 0.9273
431 BTY 0.9273
432 4ZE 0.9272
433 2CQ 0.9272
434 ZBT 0.9271
435 0CU 0.9271
436 2PC 0.9271
437 7W4 0.9267
438 5VM 0.9267
439 0HO 0.9267
440 HH5 0.9266
441 5JL 0.9265
442 G4D 0.9264
443 67N 0.9264
444 PMB 0.9263
445 1DJ 0.9263
446 V55 0.9262
447 2D0 0.9262
448 NOJ 0.9260
449 URF 0.9260
450 1MR 0.9259
451 Z82 0.9259
452 DHQ 0.9259
453 Q24 0.9257
454 3NY 0.9255
455 8TX 0.9255
456 NK 0.9254
457 HYP 0.9254
458 P92 0.9253
459 G5V 0.9253
460 2ZM 0.9251
461 BHA 0.9251
462 4M0 0.9251
463 FBV 0.9250
464 XBT 0.9250
465 174 0.9249
466 PD2 0.9248
467 A29 0.9247
468 5QY 0.9247
469 SMV 0.9246
470 KUF 0.9245
471 L5V 0.9245
472 UY7 0.9244
473 DGJ 0.9241
474 6LW 0.9239
475 MWM 0.9239
476 7N0 0.9238
477 FBJ 0.9237
478 54D 0.9236
479 XLS 0.9235
480 G3F 0.9234
481 TZC 0.9234
482 MJ2 0.9233
483 8G0 0.9233
484 FOA 0.9232
485 HT4 0.9232
486 URA 0.9232
487 24B 0.9230
488 JBN 0.9230
489 B55 0.9230
490 N2I 0.9229
491 D48 0.9229
492 RB5 0.9228
493 25W 0.9228
494 CWS 0.9228
495 TH0 0.9227
496 NOY 0.9226
497 0P6 0.9225
498 MCT 0.9225
499 265 0.9224
500 GTR 0.9224
501 284 0.9223
502 FA1 0.9222
503 ZZT 0.9222
504 2F6 0.9221
505 7WR 0.9221
506 0HN 0.9220
507 AJV 0.9217
508 32X 0.9215
509 4SX 0.9214
510 PAC 0.9213
511 173 0.9212
512 IF7 0.9211
513 AZF 0.9209
514 QY9 0.9209
515 1DV 0.9209
516 QDK 0.9208
517 F12 0.9207
518 2YU 0.9207
519 TM7 0.9207
520 ADA 0.9206
521 GCU 0.9206
522 MRW 0.9205
523 8CM 0.9204
524 DIE 0.9203
525 KBG 0.9202
526 F4Z 0.9202
527 3DM 0.9201
528 DA4 0.9201
529 275 0.9200
530 WBU 0.9199
531 SD4 0.9199
532 GAL 0.9199
533 LGC 0.9199
534 J5I 0.9199
535 DTL 0.9197
536 M2H 0.9196
537 AZ9 0.9196
538 LDU 0.9195
539 CRS 0.9195
540 4ME 0.9194
541 R8A 0.9193
542 SE2 0.9192
543 G6D 0.9191
544 3SK 0.9191
545 26D 0.9190
546 1LM 0.9190
547 ASN 0.9189
548 3Z8 0.9189
549 GCS 0.9189
550 3A9 0.9187
551 2FG 0.9187
552 FP1 0.9187
553 NSP 0.9185
554 JAE 0.9185
555 RCO 0.9185
556 5GU 0.9184
557 4H2 0.9183
558 K2T 0.9182
559 MO8 0.9181
560 PKU 0.9181
561 6NT 0.9181
562 6RQ 0.9180
563 3SL 0.9180
564 DS0 0.9180
565 2MP 0.9179
566 MWP 0.9179
567 K34 0.9179
568 8ZE 0.9178
569 MNM 0.9175
570 5UC 0.9175
571 6OT 0.9174
572 2HU 0.9174
573 BSX 0.9173
574 1F1 0.9173
575 SYV 0.9173
576 261 0.9172
577 ZXD 0.9171
578 8S0 0.9171
579 34A 0.9170
580 X09 0.9170
581 PEA 0.9170
582 FB1 0.9170
583 8IG 0.9169
584 8H8 0.9168
585 OHG 0.9166
586 717 0.9166
587 IFL 0.9164
588 TDR 0.9164
589 329 0.9164
590 TC7 0.9164
591 12Q 0.9164
592 JZ5 0.9163
593 TLA 0.9162
594 QIC 0.9162
595 XBZ 0.9162
596 0R0 0.9160
597 463 0.9159
598 N2Z 0.9158
599 0F9 0.9158
600 8WO 0.9157
601 MAN 0.9155
602 1DU 0.9154
603 J9Q 0.9154
604 LXC 0.9153
605 SWA 0.9152
606 4XS 0.9152
607 2AC 0.9151
608 DMJ 0.9151
609 ONR 0.9151
610 97T 0.9151
611 4WL 0.9151
612 GLU 0.9150
613 1MC 0.9150
614 F9Y 0.9150
615 M3T 0.9149
616 A1U 0.9147
617 4ZA 0.9146
618 LG3 0.9146
619 O2A 0.9145
620 0N7 0.9144
621 XHP 0.9143
622 KTA 0.9142
623 JZ3 0.9142
624 2AK 0.9141
625 GRE 0.9141
626 4NG 0.9140
627 C2Y 0.9140
628 WOT 0.9140
629 SNE 0.9139
630 4HO 0.9139
631 GV9 0.9138
632 2PG 0.9137
633 44W 0.9136
634 MQN 0.9134
635 92K 0.9133
636 2H5 0.9132
637 GLA 0.9131
638 JZ4 0.9131
639 AHB 0.9131
640 5JC 0.9131
641 45C 0.9130
642 3CH 0.9130
643 HGQ 0.9130
644 IDH 0.9129
645 DNF 0.9129
646 273 0.9129
647 HBA 0.9129
648 2TQ 0.9128
649 3HP 0.9128
650 LG5 0.9128
651 69O 0.9127
652 DE5 0.9127
653 94W 0.9127
654 MZG 0.9127
655 SS2 0.9126
656 TZE 0.9123
657 LYL 0.9123
658 2LP 0.9122
659 M3H 0.9122
660 QX2 0.9121
661 D07 0.9121
662 TTL 0.9121
663 4JP 0.9120
664 SMN 0.9120
665 RAT 0.9119
666 JAW 0.9119
667 5WX 0.9119
668 PRY 0.9118
669 2A9 0.9118
670 BVF 0.9118
671 ALL 0.9117
672 PEL 0.9117
673 RMN 0.9116
674 CTL 0.9116
675 6F0 0.9115
676 6M1 0.9114
677 1AL 0.9113
678 HQT 0.9111
679 5NI 0.9110
680 QPR 0.9110
681 RNS 0.9108
682 JAB 0.9106
683 XYD 0.9105
684 HQD 0.9102
685 URP 0.9102
686 B62 0.9102
687 QWW 0.9100
688 6GU 0.9100
689 0V5 0.9099
690 PEQ 0.9099
691 92P 0.9099
692 7W1 0.9099
693 TEO 0.9099
694 H76 0.9098
695 0JD 0.9098
696 H7Y 0.9097
697 XSP 0.9097
698 GIV 0.9097
699 APY 0.9095
700 0TU 0.9095
701 MZB 0.9095
702 PEP 0.9094
703 6NI 0.9094
704 HEW 0.9094
705 KJU 0.9094
706 VXX 0.9092
707 4YO 0.9091
708 2LY 0.9091
709 CYT 0.9091
710 0LH 0.9090
711 OTW 0.9090
712 PYD 0.9088
713 ICP 0.9088
714 293 0.9088
715 5QX 0.9088
716 KYD 0.9088
717 IP0 0.9088
718 HSE 0.9087
719 B2J 0.9087
720 2XX 0.9086
721 ICF 0.9085
722 B3R 0.9084
723 5MH 0.9084
724 B24 0.9083
725 4JQ 0.9083
726 MRY 0.9082
727 CWJ 0.9082
728 0FO 0.9082
729 43M 0.9081
730 R2B 0.9080
731 M0W 0.9080
732 0TR 0.9079
733 12M 0.9078
734 4XV 0.9078
735 OMD 0.9078
736 JZ1 0.9077
737 5WY 0.9076
738 ABI 0.9076
739 40E 0.9075
740 CIG 0.9075
741 44V 0.9074
742 FRU 0.9074
743 Z5P 0.9072
744 WOO 0.9072
745 FDB 0.9071
746 6TZ 0.9071
747 GAF 0.9070
748 13P 0.9070
749 GXY 0.9068
750 2EC 0.9067
751 SKA 0.9067
752 8GF 0.9065
753 7CZ 0.9064
754 AS3 0.9063
755 N7P 0.9062
756 HDH 0.9062
757 LDP 0.9061
758 FBA 0.9059
759 4JJ 0.9059
760 6VD 0.9059
761 EV0 0.9058
762 EQT 0.9058
763 2ZV 0.9058
764 5RO 0.9058
765 RAM 0.9058
766 F5B 0.9057
767 R20 0.9056
768 SEP 0.9056
769 MWJ 0.9056
770 RNT 0.9055
771 BCU 0.9054
772 H3M 0.9054
773 1SA 0.9054
774 J1Z 0.9054
775 FPY 0.9053
776 X6X 0.9052
777 PIY 0.9052
778 JIF 0.9051
779 NDH 0.9051
780 7ZE 0.9050
781 PXL 0.9050
782 UAN 0.9050
783 UFV 0.9049
784 BMA 0.9049
785 23W 0.9049
786 9X7 0.9048
787 GLY PRO 0.9048
788 AKG 0.9047
789 KJY 0.9046
790 PBE 0.9045
791 URS 0.9044
792 51F 0.9044
793 LRH 0.9044
794 4CL 0.9043
795 15L 0.9043
796 DAS 0.9042
797 8OZ 0.9042
798 GCB 0.9041
799 M4E 0.9040
800 MT0 0.9040
801 G2H 0.9040
802 SOR 0.9040
803 JBH 0.9038
804 SIN 0.9038
805 O72 0.9036
806 RJY 0.9035
807 GOJ 0.9035
808 HZQ 0.9034
809 JB8 0.9034
810 JDN 0.9033
811 BR9 0.9033
812 B60 0.9033
813 3PG 0.9032
814 GXL 0.9031
815 EVA 0.9031
816 DQU 0.9031
817 TFB 0.9030
818 286 0.9030
819 SOE 0.9030
820 YIO 0.9030
821 FCR 0.9030
822 XIY 0.9030
823 R8V 0.9030
824 TSS 0.9028
825 XXR 0.9028
826 GUA 0.9028
827 1DQ 0.9027
828 HX2 0.9026
829 ABE 0.9025
830 ZWZ 0.9025
831 MBG 0.9025
832 495 0.9024
833 KJH 0.9024
834 URQ 0.9022
835 FUM 0.9022
836 4VP 0.9022
837 NID 0.9021
838 EOL 0.9020
839 52C 0.9020
840 FA3 0.9019
841 PIM 0.9019
842 SPA 0.9018
843 263 0.9015
844 X05 0.9015
845 PQ0 0.9015
846 5ZE 0.9012
847 2FY 0.9012
848 TAR 0.9011
849 INE 0.9011
850 6JN 0.9010
851 AEH 0.9010
852 8WT 0.9010
853 82I 0.9009
854 G3H 0.9009
855 G3P 0.9009
856 PYJ 0.9008
857 27Y 0.9007
858 GIO 0.9007
859 1GP 0.9006
860 FUD 0.9006
861 3MG 0.9005
862 FUL 0.9005
863 E35 0.9003
864 LFR 0.9002
865 ODO 0.9002
866 6UA 0.9002
867 8K2 0.9001
868 HSM 0.9000
869 2MN 0.8999
870 DUC 0.8999
871 1M2 0.8999
872 JZ2 0.8998
873 4AV 0.8998
874 4SD 0.8995
875 OTR 0.8994
876 HHQ 0.8993
877 IV2 0.8993
878 LSA 0.8993
879 2ZQ 0.8992
880 98J 0.8990
881 1GN 0.8989
882 M6W 0.8989
883 MAK 0.8988
884 MAQ 0.8988
885 OHP 0.8986
886 TSU 0.8984
887 TWO 0.8984
888 BDF 0.8983
889 XYS 0.8983
890 SF9 0.8982
891 PYG 0.8982
892 R67 0.8982
893 IUR 0.8982
894 271 0.8981
895 HQ9 0.8981
896 39A 0.8980
897 JXN 0.8980
898 42J 0.8979
899 SC2 0.8979
900 7MH 0.8979
901 CTS 0.8979
902 TLD 0.8978
903 ERH 0.8976
904 A09 0.8976
905 4MU 0.8976
906 3AY 0.8975
907 EXO 0.8975
908 B53 0.8974
909 FPK 0.8973
910 Y8I 0.8971
911 AX2 0.8971
912 PQK 0.8971
913 3HG 0.8970
914 RHU 0.8970
915 GLY ALA 0.8969
916 64K 0.8967
917 N8Y 0.8965
918 AOS 0.8964
919 SHG 0.8964
920 PA1 0.8963
921 MAE 0.8963
922 HPY 0.8960
923 9RW 0.8960
924 9FL 0.8960
925 4JO 0.8960
926 BK9 0.8959
927 GLN 0.8957
928 HLD 0.8956
929 13X 0.8955
930 GP9 0.8955
931 AAS 0.8954
932 3WA 0.8954
933 PAF 0.8953
934 LEU 0.8953
935 KIV 0.8953
936 APZ 0.8952
937 OGA 0.8951
938 9R5 0.8951
939 MZW 0.8950
940 IPB 0.8950
941 2BG 0.8950
942 SAN 0.8950
943 6ME 0.8949
944 2ZX 0.8948
945 CRN 0.8946
946 SRO 0.8945
947 XXG 0.8944
948 DHR 0.8944
949 ARB 0.8943
950 ZB1 0.8942
951 XX3 0.8942
952 XRG 0.8941
953 OTD 0.8941
954 0MK 0.8939
955 DUB 0.8937
956 280 0.8936
957 4P0 0.8936
958 BR8 0.8934
959 6MH 0.8934
960 MVN 0.8934
961 149 0.8933
962 DIG 0.8931
963 T6C 0.8931
964 GZ3 0.8930
965 0GZ 0.8929
966 SVD 0.8927
967 HPS 0.8927
968 4TU 0.8924
969 KMH 0.8924
970 JBQ 0.8923
971 SR1 0.8922
972 T2C 0.8922
973 RBL 0.8922
974 TYL 0.8922
975 285 0.8921
976 TAG 0.8920
977 LKA 0.8920
978 PRZ 0.8917
979 3BU 0.8917
980 3MC 0.8915
981 MS9 0.8914
982 HCS 0.8913
983 RIP 0.8913
984 NXA 0.8913
985 PRF 0.8912
986 AH8 0.8911
987 2AS 0.8911
988 PYQ 0.8911
989 9YL 0.8910
990 XXP 0.8908
991 HXX 0.8908
992 KDF 0.8908
993 TM4 0.8907
994 15N 0.8907
995 4FA 0.8907
996 SPV 0.8906
997 SYA 0.8905
998 MBD 0.8904
999 WDL 0.8902
1000 2MY 0.8902
1001 DFU 0.8899
1002 9FE 0.8896
1003 2HG 0.8895
1004 ITN 0.8894
1005 5XB 0.8894
1006 BEA 0.8894
1007 FBS 0.8894
1008 LER 0.8893
1009 I2M 0.8892
1010 SXS 0.8891
1011 9CA 0.8891
1012 GLT 0.8889
1013 S2G 0.8888
1014 ORN 0.8887
1015 TEP 0.8887
1016 GMN 0.8886
1017 KPL 0.8884
1018 TTY 0.8884
1019 BVC 0.8881
1020 KIB 0.8881
1021 B57 0.8881
1022 DQA 0.8879
1023 1IT 0.8879
1024 3ZQ 0.8879
1025 APG 0.8879
1026 1LN 0.8878
1027 QMP 0.8878
1028 PFL 0.8876
1029 2CM 0.8876
1030 RPQ 0.8875
1031 ADK 0.8875
1032 KDV 0.8874
1033 R9S 0.8873
1034 TOF 0.8872
1035 4BZ 0.8871
1036 LLQ 0.8870
1037 J9W 0.8870
1038 IHG 0.8869
1039 RD4 0.8869
1040 ANN 0.8869
1041 RXA 0.8869
1042 FBT 0.8868
1043 TGX 0.8868
1044 PGH 0.8868
1045 23J 0.8868
1046 FLM 0.8866
1047 4JM 0.8865
1048 BZ2 0.8864
1049 TT4 0.8862
1050 PAH 0.8861
1051 3FA 0.8861
1052 CEE 0.8860
1053 HA5 0.8860
1054 3MA 0.8860
1055 PNZ 0.8860
1056 GOO 0.8859
1057 H8N 0.8858
1058 3V4 0.8857
1059 95Z 0.8857
1060 FUC 0.8857
1061 VOH 0.8856
1062 4JL 0.8856
1063 4J8 0.8856
1064 ZZ8 0.8855
1065 94N 0.8852
1066 6FZ 0.8850
1067 GVG 0.8850
1068 M45 0.8849
1069 4JU 0.8848
1070 AMS 0.8847
1071 FH2 0.8843
1072 2C9 0.8841
1073 3MH 0.8841
1074 AX3 0.8840
1075 O7U 0.8839
1076 N8P 0.8837
1077 5AN 0.8837
1078 HA7 0.8836
1079 XDE 0.8835
1080 TCZ 0.8834
1081 PEZ 0.8834
1082 I4B 0.8834
1083 SF6 0.8833
1084 M1Z 0.8833
1085 DHY 0.8830
1086 NCD 0.8830
1087 NQ 0.8830
1088 DEE 0.8828
1089 PBA 0.8828
1090 C2B 0.8824
1091 IOM 0.8822
1092 CIZ 0.8822
1093 RUU 0.8822
1094 CAQ 0.8821
1095 091 0.8819
1096 8XL 0.8818
1097 FDK 0.8816
1098 JFD 0.8816
1099 3CE 0.8812
1100 G1O 0.8811
1101 YSO 0.8810
1102 BP9 0.8809
1103 CH9 0.8809
1104 UEG 0.8807
1105 0W1 0.8805
1106 ONL 0.8804
1107 FFP 0.8804
1108 2MH 0.8803
1109 4NM 0.8800
1110 VK3 0.8799
1111 5CL 0.8797
1112 MMA 0.8796
1113 CMS 0.8795
1114 KIA 0.8795
1115 OXE 0.8795
1116 R9Y 0.8794
1117 INS 0.8793
1118 NCT 0.8792
1119 15E 0.8792
1120 2HC 0.8791
1121 40O 0.8791
1122 E5X 0.8790
1123 39O 0.8789
1124 J6W 0.8789
1125 ARA 0.8788
1126 YRL 0.8785
1127 JUG 0.8785
1128 9TY 0.8780
1129 24T 0.8780
1130 E1T 0.8779
1131 CFF 0.8779
1132 IPZ 0.8778
1133 2FQ 0.8778
1134 258 0.8777
1135 MFB 0.8777
1136 FLC 0.8777
1137 M1Q 0.8777
1138 DZX 0.8775
1139 37T 0.8775
1140 ICB 0.8770
1141 CXL 0.8769
1142 259 0.8769
1143 PEY 0.8769
1144 IAC 0.8767
1145 3RK 0.8766
1146 ECE 0.8766
1147 N3W 0.8765
1148 DGL 0.8765
1149 DNC 0.8765
1150 PXM 0.8764
1151 BNF 0.8762
1152 PJW 0.8762
1153 HC4 0.8761
1154 H62 0.8760
1155 1KP 0.8760
1156 KFH 0.8759
1157 PHT 0.8759
1158 NTM 0.8758
1159 FW5 0.8757
1160 HQE 0.8757
1161 AEF 0.8755
1162 T9G 0.8755
1163 MZ0 0.8755
1164 MPV 0.8751
1165 NVU 0.8748
1166 NVI 0.8748
1167 AHN 0.8747
1168 FUF 0.8747
1169 ICC 0.8747
1170 7VJ 0.8747
1171 PLQ 0.8747
1172 HAI 0.8746
1173 MAJ 0.8746
1174 NDM 0.8745
1175 SLS 0.8743
1176 CYH 0.8742
1177 KLW 0.8741
1178 3QM 0.8739
1179 C9E 0.8738
1180 JXW 0.8738
1181 4MV 0.8738
1182 PHE 0.8738
1183 IZC 0.8737
1184 SWD 0.8735
1185 TBP 0.8735
1186 4V2 0.8734
1187 LG4 0.8733
1188 7B3 0.8732
1189 B85 0.8731
1190 MLA 0.8731
1191 0OC 0.8730
1192 L89 0.8730
1193 NLE 0.8729
1194 TRC 0.8728
1195 IWT 0.8728
1196 CIT 0.8726
1197 1U6 0.8726
1198 EMZ 0.8725
1199 152 0.8724
1200 BEW 0.8724
1201 OSE 0.8721
1202 EGR 0.8718
1203 AJY 0.8717
1204 YHO 0.8716
1205 RM4 0.8716
1206 35C 0.8715
1207 4VY 0.8710
1208 FCA 0.8710
1209 9KT 0.8710
1210 6X8 0.8708
1211 278 0.8707
1212 PCR 0.8707
1213 MFU 0.8706
1214 TBS 0.8706
1215 2CH 0.8706
1216 THR 0.8702
1217 VAL 0.8702
1218 2AF 0.8700
1219 4A5 0.8698
1220 CPZ 0.8695
1221 GJS 0.8694
1222 KYA 0.8694
1223 J9N 0.8694
1224 FPN 0.8693
1225 K17 0.8692
1226 QBK 0.8691
1227 Q02 0.8691
1228 BPN 0.8691
1229 E60 0.8691
1230 92Z 0.8690
1231 PXY 0.8688
1232 ISE 0.8688
1233 Q7A 0.8688
1234 GM7 0.8686
1235 DA1 0.8684
1236 9ZE 0.8683
1237 HVQ 0.8683
1238 QX4 0.8682
1239 TFU 0.8680
1240 PFB 0.8677
1241 I1N 0.8677
1242 7UC 0.8677
1243 25R 0.8676
1244 JTH 0.8676
1245 6R8 0.8675
1246 8LG 0.8674
1247 3PY 0.8670
1248 JKZ 0.8669
1249 DTU 0.8669
1250 8XQ 0.8668
1251 HNQ 0.8667
1252 PGA 0.8667
1253 FLA 0.8666
1254 PHH 0.8666
1255 7VP 0.8665
1256 BVG 0.8664
1257 V1L 0.8664
1258 HTS 0.8661
1259 I6G 0.8660
1260 GLO 0.8658
1261 Q71 0.8658
1262 GCO 0.8656
1263 FP2 0.8656
1264 MLI 0.8653
1265 938 0.8651
1266 1XX 0.8651
1267 C5J 0.8651
1268 GXE 0.8650
1269 ICT 0.8650
1270 GF4 0.8649
1271 12B 0.8649
1272 5NE 0.8647
1273 1AN 0.8646
1274 BML 0.8646
1275 9KH 0.8645
1276 ESI 0.8644
1277 YTB 0.8642
1278 2IM 0.8641
1279 DGN 0.8640
1280 1A7 0.8639
1281 209 0.8639
1282 AY4 0.8639
1283 E7S 0.8634
1284 MET 0.8633
1285 SIF 0.8633
1286 1X7 0.8632
1287 F4E 0.8632
1288 CEJ 0.8631
1289 ESX 0.8629
1290 QAS 0.8628
1291 28N 0.8627
1292 MBN 0.8626
1293 8CL 0.8626
1294 PH2 0.8626
1295 JG8 0.8625
1296 4HS 0.8623
1297 9X6 0.8620
1298 NTZ 0.8619
1299 IPH 0.8617
1300 428 0.8617
1301 CLZ 0.8617
1302 TZF 0.8616
1303 93Q 0.8615
1304 2KT 0.8614
1305 M5N 0.8612
1306 EN1 0.8611
1307 AUD 0.8610
1308 H33 0.8607
1309 A2Q 0.8605
1310 TMT 0.8604
1311 MSR 0.8603
1312 B5D 0.8602
1313 GZ8 0.8602
1314 2AP 0.8601
1315 4AP 0.8600
1316 P4B 0.8600
1317 3AP 0.8599
1318 76X 0.8598
1319 ACH 0.8595
1320 YQA 0.8594
1321 JND 0.8594
1322 4CH 0.8584
1323 6BL 0.8583
1324 K8X 0.8581
1325 BPU 0.8576
1326 X8D 0.8573
1327 HYN 0.8567
1328 NEQ 0.8564
1329 CSS 0.8562
1330 4JN 0.8560
1331 HHR 0.8556
1332 SEJ 0.8552
1333 SER 0.8551
1334 LI6 0.8548
1335 6KT 0.8545
1336 TMZ 0.8544
1337 K6X 0.8536
1338 25T 0.8531
1339 6HQ 0.8526
1340 NK2 0.8525
1341 JU2 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BMR; Ligand: 3NT; 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: 2bmr.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BMR; Ligand: 3NT; 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: 2bmr.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BMR; Ligand: 3NT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2bmr.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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