Receptor
PDB id Resolution Class Description Source Keywords
1W3R 1.9 Å NON-ENZYME: OTHER NIMA FROM D. RADIODURANS WITH METRONIDAZOLE AND PYRUVATE DEINOCOCCUS RADIODURANS ANTIBIOTIC RESISTANCE DEINOCOCCUS RADIODURANS 5-NITROIMIDARESISTANCE NIM GENE CATALYTIC MECHANISM
Ref.: STRUCTURAL BASIS OF 5-NITROIMIDAZOLE ANTIBIOTIC RES THE CRYSTAL STRUCTURE OF NIMA FROM DEINOCOCCUS RADI J.BIOL.CHEM. V. 279 55840 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2MN A:1198;
Valid;
none;
submit data
171.154 C6 H9 N3 O3 Cc1nc...
ACT A:1196;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
PYR A:1197;
Valid;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W3R 1.9 Å NON-ENZYME: OTHER NIMA FROM D. RADIODURANS WITH METRONIDAZOLE AND PYRUVATE DEINOCOCCUS RADIODURANS ANTIBIOTIC RESISTANCE DEINOCOCCUS RADIODURANS 5-NITROIMIDARESISTANCE NIM GENE CATALYTIC MECHANISM
Ref.: STRUCTURAL BASIS OF 5-NITROIMIDAZOLE ANTIBIOTIC RES THE CRYSTAL STRUCTURE OF NIMA FROM DEINOCOCCUS RADI J.BIOL.CHEM. V. 279 55840 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 1W3R - PYR C3 H4 O3 CC(=O)C(=O....
2 1W3O - PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 1W3R - PYR C3 H4 O3 CC(=O)C(=O....
2 1W3O - PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1W3R - PYR C3 H4 O3 CC(=O)C(=O....
2 1W3O - PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2MN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 2MN 1 1
2 1VQ 0.583333 0.6875
3 2VQ 0.583333 0.692308
Ligand no: 2; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: 2MN; Similar ligands found: 672
No: Ligand Similarity coefficient
1 UAN 0.9616
2 5WX 0.9614
3 PHT 0.9529
4 9MG 0.9522
5 NTM 0.9505
6 YSO 0.9503
7 VNL 0.9497
8 XAN 0.9453
9 V55 0.9433
10 M0Q 0.9428
11 7VS 0.9420
12 F12 0.9418
13 LSA 0.9412
14 GUN 0.9410
15 BK9 0.9398
16 12M 0.9388
17 BGC 0.9382
18 8S0 0.9380
19 0W8 0.9374
20 FOT 0.9374
21 KLW 0.9361
22 GCS 0.9346
23 C2U 0.9339
24 9DG 0.9335
25 G3F 0.9331
26 7B4 0.9331
27 IJZ 0.9330
28 M1H 0.9328
29 7VJ 0.9313
30 NDM 0.9310
31 6LW 0.9309
32 I3A 0.9305
33 GT0 0.9305
34 5M0 0.9300
35 5RG 0.9299
36 54G 0.9295
37 5MK 0.9290
38 SXS 0.9290
39 SAL 0.9289
40 F0J 0.9289
41 KIB 0.9286
42 M1E 0.9281
43 GTQ 0.9280
44 HLZ 0.9279
45 QAS 0.9278
46 ADE 0.9276
47 NTZ 0.9275
48 GLC 0.9274
49 AKH 0.9269
50 Q6T 0.9268
51 XQG 0.9267
52 DBJ 0.9266
53 7HP 0.9266
54 BMA 0.9262
55 1LQ 0.9258
56 GAL 0.9257
57 LGC 0.9253
58 MAN 0.9252
59 GV9 0.9250
60 HPA 0.9249
61 BTE 0.9249
62 6F0 0.9246
63 QM1 0.9244
64 HJP 0.9242
65 3M0 0.9237
66 HXX 0.9230
67 GRE 0.9230
68 D07 0.9223
69 GZ8 0.9221
70 AIN 0.9218
71 2ZQ 0.9216
72 5RN 0.9216
73 BE2 0.9215
74 Q88 0.9205
75 PXL 0.9205
76 42C 0.9201
77 GOG 0.9200
78 GLY PRO 0.9200
79 DOB 0.9200
80 7HQ 0.9199
81 ZWZ 0.9199
82 KBG 0.9198
83 DIE 0.9197
84 0P6 0.9197
85 QAT 0.9195
86 HH5 0.9193
87 4HC 0.9193
88 ICO 0.9191
89 3MG 0.9185
90 R8V 0.9181
91 3Z7 0.9177
92 JKE 0.9177
93 3IT 0.9173
94 BDP 0.9172
95 FA0 0.9170
96 UEG 0.9170
97 ES6 0.9168
98 5CU 0.9166
99 RAM 0.9166
100 YQA 0.9164
101 NFQ 0.9164
102 M0W 0.9163
103 7ZE 0.9160
104 IPZ 0.9158
105 N8P 0.9156
106 URC 0.9153
107 TRA 0.9151
108 M3S 0.9149
109 1WD 0.9148
110 3F0 0.9148
111 PXM 0.9147
112 AMG 0.9146
113 680 0.9145
114 5NU 0.9142
115 5WY 0.9142
116 6M1 0.9141
117 6CS 0.9141
118 4M4 0.9139
119 FRU 0.9137
120 B53 0.9137
121 KP6 0.9137
122 GM7 0.9133
123 N7P 0.9132
124 B57 0.9132
125 SHG 0.9131
126 M1A 0.9129
127 GIM 0.9126
128 XQK 0.9125
129 MVL 0.9123
130 3U4 0.9123
131 AEZ 0.9122
132 3WA 0.9121
133 GTZ 0.9121
134 KJY 0.9120
135 67N 0.9118
136 25W 0.9118
137 G2F 0.9115
138 ORO 0.9111
139 HTP 0.9109
140 9TZ 0.9109
141 DBH 0.9105
142 NCD 0.9104
143 ZZ8 0.9100
144 5RO 0.9098
145 8TX 0.9097
146 PRZ 0.9096
147 7MH 0.9096
148 INE 0.9095
149 2TQ 0.9093
150 XX3 0.9092
151 VK3 0.9086
152 FUL 0.9085
153 GIO 0.9084
154 GYP 0.9082
155 5QX 0.9078
156 1DW 0.9077
157 4ME 0.9075
158 YIO 0.9074
159 DHK 0.9074
160 KYD 0.9074
161 FYU 0.9072
162 P9P 0.9069
163 39A 0.9066
164 2H5 0.9066
165 UNC 0.9065
166 PX7 0.9064
167 3HA 0.9064
168 OXC 0.9063
169 TSS 0.9063
170 DIG 0.9062
171 GOX 0.9062
172 RM1 0.9059
173 MO8 0.9059
174 0LH 0.9057
175 GLA 0.9056
176 G5V 0.9056
177 GCU 0.9054
178 HIO 0.9054
179 BHA 0.9053
180 AZA 0.9053
181 EUG 0.9053
182 SRO 0.9049
183 T6C 0.9048
184 7NI 0.9047
185 1XM 0.9045
186 A65 0.9044
187 CFF 0.9044
188 SX1 0.9043
189 GDE 0.9042
190 MT0 0.9042
191 MFU 0.9041
192 FE DB1 0.9041
193 XXR 0.9039
194 F05 0.9039
195 GAG 0.9038
196 MBG 0.9034
197 FUF 0.9034
198 4M0 0.9032
199 VOH 0.9031
200 3Z8 0.9031
201 A2F 0.9029
202 2EC 0.9026
203 10L 0.9025
204 ENL 0.9024
205 G6D 0.9022
206 TTL 0.9021
207 DX4 0.9021
208 AZG 0.9018
209 ATH 0.9017
210 GYE 0.9017
211 4ZC 0.9016
212 MFB 0.9016
213 293 0.9016
214 290 0.9015
215 XYP 0.9014
216 FCB 0.9014
217 4AV 0.9013
218 FUC 0.9012
219 NOJ 0.9012
220 BP1 0.9012
221 7WA 0.9009
222 RIB 0.9009
223 MYJ 0.9008
224 9KH 0.9008
225 9DA 0.9008
226 MA3 0.9008
227 4SV 0.9007
228 AHR 0.9007
229 FP1 0.9007
230 LZM 0.9007
231 SKM 0.9007
232 6AP 0.9004
233 CHB 0.9003
234 F31 0.9003
235 ES4 0.9002
236 141 0.9000
237 HH8 0.9000
238 IHB 0.9000
239 3NT 0.8999
240 O2A 0.8999
241 URF 0.8999
242 GJS 0.8999
243 FXH 0.8999
244 LFR 0.8996
245 PFB 0.8993
246 329 0.8992
247 IGA 0.8991
248 4HM 0.8988
249 SWA 0.8988
250 I6G 0.8988
251 PRF 0.8988
252 GLT 0.8986
253 WOO 0.8986
254 RHU 0.8986
255 GCB 0.8985
256 2D3 0.8985
257 JZ3 0.8985
258 7WR 0.8984
259 HNQ 0.8983
260 4NC 0.8983
261 LXC 0.8982
262 3DM 0.8981
263 V6F 0.8979
264 FPK 0.8979
265 261 0.8977
266 6MP 0.8976
267 KIA 0.8974
268 1XN 0.8973
269 2ZV 0.8973
270 6XI 0.8972
271 TWO 0.8972
272 DOR 0.8972
273 DQU 0.8970
274 LKA 0.8970
275 MMA 0.8970
276 OIA 0.8969
277 9TW 0.8969
278 MWP 0.8968
279 BOA 0.8968
280 ALL 0.8968
281 4XH 0.8967
282 YH7 0.8965
283 INS 0.8965
284 5SG 0.8964
285 FHN 0.8964
286 X6X 0.8963
287 CFP 0.8962
288 PA1 0.8959
289 DMJ 0.8959
290 HZQ 0.8958
291 J01 0.8958
292 7W4 0.8958
293 NEQ 0.8957
294 GIV 0.8957
295 HHA 0.8957
296 D3M 0.8956
297 N5J 0.8956
298 495 0.8955
299 X09 0.8954
300 RM4 0.8948
301 ADZ 0.8946
302 3XX 0.8945
303 TEP 0.8943
304 DHB 0.8942
305 RNS 0.8942
306 NGO 0.8942
307 ZB1 0.8941
308 9HX 0.8940
309 3DO 0.8940
310 CIT 0.8937
311 HA7 0.8936
312 24W 0.8936
313 EQT 0.8935
314 QSB 0.8935
315 AW5 0.8934
316 2XX 0.8934
317 5Q0 0.8934
318 JIF 0.8933
319 WBU 0.8933
320 286 0.8933
321 D1X 0.8933
322 3RK 0.8932
323 GAF 0.8932
324 PE0 0.8932
325 93K 0.8929
326 1AL 0.8927
327 37T 0.8926
328 EJZ 0.8924
329 ICT 0.8923
330 GCW 0.8923
331 5IQ 0.8923
332 BCP 0.8923
333 0CU 0.8922
334 ES1 0.8922
335 KKN 0.8922
336 H7Y 0.8921
337 EVA 0.8921
338 SKA 0.8921
339 VNJ 0.8921
340 3MA 0.8920
341 3R9 0.8920
342 ADK 0.8920
343 149 0.8918
344 1SQ 0.8917
345 091 0.8915
346 4A5 0.8914
347 OMD 0.8914
348 EXO 0.8914
349 ADA 0.8913
350 B62 0.8913
351 JXW 0.8912
352 PM6 0.8912
353 4YS 0.8912
354 ARA 0.8911
355 GLG 0.8911
356 XYS 0.8911
357 S76 0.8911
358 HQY 0.8910
359 1NP 0.8908
360 M5K 0.8907
361 NMJ 0.8907
362 JPZ 0.8906
363 HQD 0.8906
364 2A7 0.8904
365 FH2 0.8903
366 HMU 0.8903
367 8VN 0.8901
368 12B 0.8901
369 ZZT 0.8900
370 R8A 0.8900
371 6M4 0.8899
372 SHA 0.8898
373 2FG 0.8898
374 FBT 0.8898
375 1LM 0.8897
376 ISN 0.8896
377 IFL 0.8895
378 60P 0.8895
379 M2K 0.8894
380 3SK 0.8893
381 NOY 0.8893
382 JXZ 0.8891
383 URQ 0.8891
384 2D0 0.8891
385 HX3 0.8890
386 CTS 0.8890
387 ZZ3 0.8889
388 ALA PRO 0.8887
389 FLC 0.8887
390 JBE 0.8886
391 ES0 0.8886
392 AZF 0.8885
393 ISE 0.8885
394 ASC 0.8884
395 NK 0.8884
396 1U6 0.8881
397 XX2 0.8881
398 06B 0.8880
399 ASO 0.8879
400 DQN 0.8879
401 6GU 0.8878
402 1GN 0.8876
403 M6N 0.8875
404 RPQ 0.8873
405 GLF 0.8873
406 HQT 0.8873
407 BZX 0.8872
408 7WV 0.8872
409 Z5P 0.8872
410 AZ8 0.8871
411 TRC 0.8871
412 OTD 0.8870
413 2HO 0.8869
414 G4D 0.8868
415 TLA 0.8868
416 GTR 0.8868
417 EYK 0.8868
418 SFU 0.8868
419 CWM 0.8867
420 HMH 0.8866
421 FB1 0.8866
422 PYG 0.8864
423 RXA 0.8864
424 5WV 0.8862
425 PYQ 0.8862
426 ES7 0.8860
427 QPR 0.8860
428 12Q 0.8860
429 JFD 0.8859
430 MS9 0.8859
431 32O 0.8858
432 SOE 0.8858
433 TAR 0.8855
434 Q24 0.8855
435 HPT 0.8854
436 F5B 0.8854
437 FBG 0.8851
438 FDB 0.8850
439 4XR 0.8850
440 TH7 0.8849
441 SC2 0.8848
442 NDH 0.8848
443 0FN 0.8847
444 I1N 0.8847
445 3R6 0.8847
446 B60 0.8847
447 6KX 0.8846
448 G8M 0.8845
449 6UA 0.8845
450 FDK 0.8843
451 PQ0 0.8843
452 F81 0.8841
453 75K 0.8840
454 INO 0.8840
455 JUG 0.8838
456 3FH 0.8838
457 Q71 0.8838
458 ABE 0.8836
459 4AA 0.8836
460 0R0 0.8835
461 GXL 0.8835
462 LCN 0.8835
463 OXQ 0.8835
464 SJ5 0.8835
465 2AL 0.8834
466 7W1 0.8833
467 IFM 0.8833
468 AJ2 0.8831
469 FUB 0.8830
470 94B 0.8830
471 2M5 0.8829
472 NLA 0.8829
473 FSW 0.8826
474 P3K 0.8825
475 2PG 0.8824
476 IBM 0.8818
477 M5N 0.8817
478 SF9 0.8816
479 82I 0.8815
480 GTL 0.8815
481 5AC 0.8815
482 FCA 0.8814
483 MEW 0.8814
484 PSV 0.8813
485 948 0.8813
486 SF6 0.8809
487 GOO 0.8809
488 1P3 0.8808
489 II6 0.8807
490 95Z 0.8807
491 FBV 0.8806
492 4XV 0.8806
493 TDR 0.8805
494 GSY 0.8805
495 TTY 0.8802
496 B55 0.8801
497 SIF 0.8801
498 NQ 0.8800
499 32X 0.8800
500 6HQ 0.8798
501 ARB 0.8796
502 NGT 0.8796
503 15L 0.8794
504 KOJ 0.8791
505 512 0.8790
506 SVN 0.8790
507 AQO 0.8789
508 8H8 0.8786
509 44V 0.8781
510 9TY 0.8779
511 APZ 0.8779
512 DBX 0.8779
513 3GQ 0.8778
514 3C2 0.8778
515 G1O 0.8778
516 GBD 0.8778
517 EV3 0.8777
518 AUD 0.8772
519 8IG 0.8771
520 1LN 0.8771
521 1XX 0.8768
522 BDF 0.8766
523 8VE 0.8763
524 IPB 0.8761
525 H6B 0.8760
526 OXZ 0.8757
527 CDV 0.8756
528 DRL 0.8754
529 23A 0.8752
530 NID 0.8752
531 MAQ 0.8750
532 E7Z 0.8748
533 TVP 0.8748
534 GCV 0.8748
535 A7W 0.8747
536 ICP 0.8745
537 JBQ 0.8744
538 LT8 0.8742
539 24B 0.8742
540 BTY 0.8740
541 1MC 0.8737
542 QWW 0.8737
543 MSN 0.8737
544 34D 0.8734
545 JBK 0.8734
546 0MK 0.8731
547 B5D 0.8729
548 ZVO 0.8727
549 CWS 0.8727
550 IV2 0.8727
551 UQ 0.8725
552 H62 0.8724
553 AZ9 0.8723
554 2DR 0.8721
555 3C1 0.8721
556 5JQ 0.8720
557 XYD 0.8719
558 44W 0.8719
559 KT7 0.8718
560 KDO 0.8714
561 2LP 0.8711
562 57O 0.8711
563 9PY 0.8709
564 AFR 0.8709
565 BEA 0.8707
566 1U1 0.8706
567 NSP 0.8705
568 EA1 0.8703
569 LRH 0.8699
570 MNM 0.8698
571 JZ1 0.8697
572 PAF 0.8697
573 A1U 0.8696
574 RIP 0.8695
575 NPO 0.8694
576 MWM 0.8693
577 CN0 0.8692
578 7D2 0.8692
579 PYD 0.8692
580 KPL 0.8692
581 60Q 0.8688
582 MCT 0.8686
583 4A3 0.8685
584 EKZ 0.8683
585 AS3 0.8683
586 KUF 0.8683
587 DIN 0.8681
588 8CM 0.8680
589 TSR 0.8678
590 4ZE 0.8678
591 PHB 0.8677
592 2MP 0.8676
593 TH0 0.8675
594 K2P 0.8675
595 5UC 0.8675
596 9EW 0.8674
597 43M 0.8672
598 275 0.8672
599 4HO 0.8672
600 CGB 0.8671
601 DFU 0.8671
602 3CU 0.8670
603 2AC 0.8667
604 4Z4 0.8667
605 34A 0.8666
606 XSP 0.8664
607 CBF 0.8662
608 3HM 0.8659
609 OVP 0.8656
610 1N4 0.8654
611 XBZ 0.8652
612 J9Q 0.8651
613 JXN 0.8649
614 4JO 0.8648
615 2YU 0.8648
616 4MU 0.8648
617 QIC 0.8647
618 MRW 0.8643
619 NNO 0.8642
620 JYB 0.8641
621 JZ2 0.8640
622 TM7 0.8638
623 HQ9 0.8636
624 DGJ 0.8634
625 FHB 0.8633
626 6AI 0.8632
627 XAZ 0.8630
628 O7U 0.8630
629 5JL 0.8630
630 IP0 0.8628
631 86J 0.8628
632 2GS 0.8628
633 MIG 0.8628
634 TLD 0.8627
635 0RW 0.8627
636 KIF 0.8626
637 4PW 0.8623
638 IUR 0.8623
639 HT4 0.8619
640 PAB 0.8617
641 4JJ 0.8615
642 3AL 0.8611
643 OEM 0.8610
644 2K4 0.8609
645 SVD 0.8604
646 OTW 0.8604
647 6DP 0.8602
648 5MH 0.8596
649 XHP 0.8596
650 T9G 0.8596
651 XXG 0.8591
652 IDH 0.8587
653 XQ0 0.8584
654 BR8 0.8582
655 AX2 0.8577
656 DMD 0.8575
657 HFB 0.8566
658 2A9 0.8563
659 QMS 0.8555
660 92K 0.8553
661 2FY 0.8547
662 5JC 0.8547
663 3AY 0.8538
664 13X 0.8536
665 5AN 0.8522
666 S3B 0.8519
667 1WG 0.8518
668 MWJ 0.8517
669 SR1 0.8517
670 QUZ 0.8513
671 NPY 0.8510
672 5ZE 0.8508
Ligand no: 2; Ligand: PYR; Similar ligands found: 403
No: Ligand Similarity coefficient
1 OXM 1.0000
2 HBS 1.0000
3 HBR 1.0000
4 NAK 1.0000
5 ALQ 1.0000
6 DAL 1.0000
7 ALA 1.0000
8 NIS 1.0000
9 2OP 1.0000
10 LAC 1.0000
11 PYM 1.0000
12 OXL 1.0000
13 BUO 1.0000
14 HGY 1.0000
15 5Y9 1.0000
16 TF4 0.9897
17 THR 0.9859
18 BU4 0.9801
19 DXX 0.9793
20 39J 0.9787
21 MB3 0.9783
22 DGY 0.9781
23 03W 0.9781
24 1AC 0.9772
25 AOA 0.9760
26 SER 0.9754
27 3ZS 0.9752
28 BAL 0.9734
29 PPI 0.9734
30 3OH 0.9733
31 HSL 0.9723
32 3PY 0.9721
33 KSW 0.9709
34 DSN 0.9707
35 BMD 0.9701
36 FAH 0.9700
37 HIU 0.9691
38 NIE 0.9688
39 GLV 0.9687
40 HUI 0.9681
41 GLY 0.9679
42 J3K 0.9679
43 CYS 0.9678
44 DE2 0.9673
45 3TR 0.9670
46 KG7 0.9663
47 4AX 0.9663
48 A3B 0.9661
49 DBB 0.9661
50 2RA 0.9657
51 2A3 0.9652
52 2AI 0.9651
53 ALF 0.9650
54 0PY 0.9650
55 DMI 0.9642
56 3MT 0.9641
57 6SP 0.9637
58 1CB 0.9637
59 SAR 0.9628
60 GBL 0.9626
61 HOW 0.9623
62 AKR 0.9623
63 2MZ 0.9618
64 AMT 0.9618
65 1MZ 0.9611
66 2A1 0.9611
67 7EX 0.9610
68 MMZ 0.9609
69 DCY 0.9605
70 MR3 0.9604
71 GOA 0.9603
72 C2N 0.9599
73 5MP 0.9594
74 B20 0.9593
75 BAQ 0.9591
76 4MZ 0.9590
77 HAE 0.9589
78 BUA 0.9583
79 BNZ 0.9582
80 P1R 0.9581
81 C5J 0.9580
82 GOL 0.9579
83 F3V 0.9576
84 PHZ 0.9575
85 NHY 0.9574
86 SMB 0.9571
87 ABA 0.9571
88 61G 0.9565
89 HVB 0.9565
90 AGU 0.9561
91 BUQ 0.9560
92 R3W 0.9548
93 ATQ 0.9548
94 DTI 0.9548
95 5KX 0.9548
96 9A4 0.9544
97 BUB 0.9541
98 3CL 0.9533
99 MGX 0.9532
100 XAP 0.9503
101 PZO 0.9499
102 JZ6 0.9497
103 MZY 0.9492
104 NMU 0.9488
105 TRI 0.9486
106 CYH 0.9483
107 CXL 0.9483
108 HAI 0.9477
109 BRP 0.9473
110 MLA 0.9469
111 IPH 0.9456
112 SLP 0.9447
113 HLT 0.9445
114 3HR 0.9444
115 PPF 0.9444
116 TSZ 0.9443
117 3GR 0.9442
118 HVK 0.9439
119 IMD 0.9439
120 HUH 0.9433
121 MLI 0.9429
122 BYZ 0.9426
123 MLM 0.9425
124 3BB 0.9425
125 PYZ 0.9424
126 ATO 0.9421
127 ES3 0.9421
128 LGA 0.9419
129 A2Q 0.9419
130 TAY 0.9417
131 DTL 0.9416
132 PXO 0.9416
133 2AP 0.9414
134 EGD 0.9408
135 XIX 0.9402
136 MBN 0.9400
137 MTG 0.9400
138 40O 0.9400
139 1BP 0.9399
140 3ZQ 0.9392
141 3HL 0.9391
142 MEU 0.9389
143 DMG 0.9389
144 HYN 0.9380
145 BXA 0.9372
146 9PO 0.9367
147 3AP 0.9364
148 4AP 0.9363
149 L60 0.9361
150 HRZ 0.9356
151 V1L 0.9352
152 2IM 0.9352
153 23W 0.9349
154 93B 0.9344
155 GXV 0.9339
156 2HA 0.9330
157 WOT 0.9318
158 CP2 0.9308
159 MZ0 0.9304
160 4XX 0.9303
161 IVA 0.9290
162 8CL 0.9288
163 FP2 0.9285
164 PIH 0.9283
165 MRY 0.9282
166 2HP 0.9280
167 HHN 0.9276
168 JZ0 0.9272
169 LER 0.9271
170 HV2 0.9270
171 CAQ 0.9263
172 TTO 0.9262
173 93Q 0.9262
174 ABU 0.9262
175 L89 0.9258
176 GXE 0.9257
177 HGW 0.9254
178 1AN 0.9252
179 J1Z 0.9247
180 ETF 0.9247
181 76X 0.9244
182 TFB 0.9244
183 BXO 0.9236
184 938 0.9232
185 TCV 0.9231
186 2AF 0.9230
187 IQ0 0.9227
188 FW5 0.9225
189 4DX 0.9222
190 H3M 0.9215
191 8LG 0.9213
192 92Z 0.9212
193 OXE 0.9204
194 24T 0.9194
195 PRI 0.9190
196 D2P 0.9182
197 TMT 0.9179
198 BEW 0.9179
199 MMU 0.9177
200 CEJ 0.9176
201 TMZ 0.9175
202 285 0.9172
203 2CH 0.9170
204 P2D 0.9167
205 HTS 0.9160
206 CHT 0.9157
207 SSN 0.9157
208 ITU 0.9146
209 E60 0.9144
210 NVI 0.9142
211 8FH 0.9138
212 8X3 0.9134
213 6X8 0.9131
214 192 0.9131
215 03S 0.9122
216 HSW 0.9120
217 BAE 0.9118
218 25T 0.9113
219 TAU 0.9111
220 TB0 0.9109
221 2PC 0.9106
222 PRO 0.9106
223 FUS 0.9099
224 SGL 0.9087
225 YAN 0.9086
226 DCD 0.9085
227 280 0.9081
228 TBU 0.9081
229 1SP 0.9081
230 FJO 0.9078
231 PRS 0.9069
232 ALO 0.9064
233 1DH 0.9062
234 DTU 0.9061
235 TMO 0.9056
236 GB 0.9055
237 BVC 0.9054
238 DUC 0.9053
239 TAN 0.9043
240 4JU 0.9042
241 HPY 0.9040
242 LG3 0.9037
243 278 0.9037
244 ODV 0.9032
245 25R 0.9031
246 URA 0.9025
247 ETM 0.9022
248 2HE 0.9019
249 ICN 0.9017
250 DPR 0.9008
251 8GF 0.9006
252 284 0.9004
253 CRS 0.9004
254 FOA 0.9002
255 AKB 0.9001
256 PCR 0.8999
257 POA 0.8998
258 T2C 0.8998
259 BF4 0.8997
260 LG5 0.8996
261 VAL 0.8994
262 PO4 0.8994
263 FMS 0.8991
264 DTT 0.8989
265 MSF 0.8988
266 RP7 0.8988
267 BVG 0.8988
268 TZC 0.8984
269 26D 0.8983
270 HVQ 0.8983
271 2EZ 0.8981
272 P7I 0.8979
273 PAE 0.8977
274 FCN 0.8976
275 TFS 0.8973
276 CYT 0.8970
277 JBN 0.8963
278 BVF 0.8963
279 DA1 0.8962
280 LG4 0.8962
281 PYC 0.8958
282 JAB 0.8956
283 HQE 0.8954
284 EDO 0.8949
285 4JN 0.8947
286 2MH 0.8944
287 TP5 0.8943
288 RCO 0.8941
289 CNH 0.8938
290 FPO 0.8936
291 WO6 0.8934
292 VSO 0.8932
293 3CH 0.8931
294 9X7 0.8931
295 2PA 0.8930
296 CIG 0.8929
297 MAK 0.8922
298 PUT 0.8917
299 FPN 0.8903
300 4CH 0.8897
301 1DU 0.8896
302 BML 0.8895
303 HEW 0.8895
304 ECE 0.8893
305 PLQ 0.8892
306 B3R 0.8891
307 IDH 0.8890
308 1XX 0.8890
309 PXY 0.8887
310 HGQ 0.8886
311 RSF 0.8886
312 ISU 0.8877
313 4HS 0.8873
314 BRJ 0.8872
315 265 0.8862
316 HHQ 0.8862
317 DAB 0.8857
318 273 0.8857
319 M3T 0.8854
320 SYN 0.8849
321 IOL 0.8841
322 4H2 0.8839
323 HCS 0.8829
324 NEQ 0.8823
325 C21 0.8819
326 NCM 0.8815
327 HSE 0.8814
328 MMQ 0.8813
329 ART 0.8805
330 PEJ 0.8805
331 YHO 0.8801
332 CSS 0.8790
333 OSM 0.8786
334 NVA 0.8784
335 CP 0.8779
336 URF 0.8769
337 SMV 0.8769
338 ICC 0.8766
339 MTD 0.8763
340 282 0.8757
341 NOE 0.8738
342 1MC 0.8736
343 ICP 0.8735
344 TDR 0.8735
345 DCL 0.8728
346 3SY 0.8728
347 APY 0.8722
348 FPY 0.8718
349 4HO 0.8703
350 ACT 0.8702
351 MWJ 0.8697
352 AMC 0.8696
353 XYD 0.8696
354 ABN 0.8690
355 27Y 0.8685
356 A1U 0.8684
357 1PT 0.8683
358 MWM 0.8682
359 4CL 0.8680
360 3MC 0.8680
361 HY3 0.8678
362 0CT 0.8678
363 TZZ 0.8678
364 9XN 0.8677
365 MZG 0.8675
366 MCT 0.8674
367 5MH 0.8673
368 BR9 0.8669
369 1AB 0.8669
370 GVH 0.8667
371 WBU 0.8666
372 JZ1 0.8657
373 0R1 0.8656
374 JZ2 0.8655
375 ACM 0.8655
376 4JJ 0.8651
377 IHG 0.8650
378 4JP 0.8649
379 BZI 0.8649
380 1MR 0.8648
381 5UC 0.8646
382 FFP 0.8642
383 IND 0.8642
384 R8A 0.8639
385 EDG 0.8635
386 9CL 0.8633
387 PYJ 0.8631
388 NBE 0.8626
389 LZ1 0.8626
390 BZF 0.8625
391 IUR 0.8618
392 JZ3 0.8618
393 FLM 0.8612
394 73M 0.8600
395 PY7 0.8599
396 3FA 0.8595
397 AXO 0.8594
398 MBD 0.8583
399 SIN 0.8579
400 SEY 0.8576
401 HBX 0.8571
402 AF3 0.8571
403 PYG 0.8569
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W3R; Ligand: 2MN; 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: 1w3r.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1W3R; Ligand: 2MN; 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: 1w3r.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W3R; Ligand: PYR; 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: 1w3r.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W3R; Ligand: PYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1w3r.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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