Receptor
PDB id Resolution Class Description Source Keywords
5K21 1.8 Å EC: 7.-.-.- PYOCYANIN DEMETHYLASE MYCOBACTERIUM FORTUITUM SUBSP. FORTUIT46621 = ATCC 6841 DEMETHYLASE PHENAZINE OXIDOREDUCTASE
Ref.: PYOCYANIN DEGRADATION BY A TAUTOMERIZING DEMETHYLAS INHIBITS PSEUDOMONAS AERUGINOSA BIOFILMS. SCIENCE V. 355 170 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:202;
C:202;
A:202;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
6QF A:201;
B:201;
C:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
196.205 C12 H8 N2 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5K21 1.8 Å EC: 7.-.-.- PYOCYANIN DEMETHYLASE MYCOBACTERIUM FORTUITUM SUBSP. FORTUIT46621 = ATCC 6841 DEMETHYLASE PHENAZINE OXIDOREDUCTASE
Ref.: PYOCYANIN DEGRADATION BY A TAUTOMERIZING DEMETHYLAS INHIBITS PSEUDOMONAS AERUGINOSA BIOFILMS. SCIENCE V. 355 170 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6QF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6QF 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6QF; Similar ligands found: 784
No: Ligand Similarity coefficient
1 ANC 1.0000
2 AN3 0.9843
3 3J8 0.9792
4 JG8 0.9769
5 344 0.9752
6 BZE 0.9681
7 BPY 0.9670
8 ANF 0.9667
9 AA 0.9658
10 6FB 0.9643
11 THA 0.9642
12 S60 0.9636
13 BZJ 0.9631
14 GNM 0.9629
15 ZYR 0.9625
16 BGU 0.9596
17 9CA 0.9588
18 CH9 0.9577
19 X11 0.9575
20 1IT 0.9567
21 X48 0.9566
22 9FL 0.9558
23 FQX 0.9553
24 5TY 0.9549
25 DPT 0.9544
26 M3E 0.9542
27 X0U 0.9531
28 GJP 0.9525
29 1HN 0.9522
30 FF2 0.9520
31 DNQ 0.9519
32 4RU 0.9516
33 XDK 0.9510
34 30G 0.9493
35 KTW 0.9489
36 8HC 0.9489
37 0FK 0.9484
38 ESI 0.9480
39 68A 0.9479
40 CNI 0.9477
41 DRG 0.9477
42 PEY 0.9472
43 2K8 0.9471
44 ITE 0.9467
45 15N 0.9466
46 E1T 0.9465
47 BP7 0.9462
48 0JD 0.9458
49 N0Z 0.9454
50 WUB 0.9452
51 F2W 0.9444
52 HA5 0.9444
53 JP2 0.9433
54 V1T 0.9432
55 BIK 0.9431
56 AY4 0.9420
57 5VL 0.9420
58 3QV 0.9415
59 7ZL 0.9395
60 MXD 0.9384
61 HHS 0.9382
62 AJY 0.9381
63 ZSP 0.9380
64 0BP 0.9380
65 537 0.9380
66 HRM 0.9380
67 BZ2 0.9378
68 PRL 0.9376
69 K97 0.9374
70 8NX 0.9370
71 PJW 0.9369
72 GO2 0.9369
73 39O 0.9367
74 LL1 0.9366
75 1VK 0.9365
76 XCG 0.9363
77 LUM 0.9362
78 H4B 0.9362
79 363 0.9359
80 3Y7 0.9356
81 L22 0.9356
82 5E5 0.9355
83 ESX 0.9354
84 EN1 0.9352
85 3PF 0.9351
86 1KP 0.9348
87 3VX 0.9345
88 TIY 0.9343
89 12T 0.9342
90 1A7 0.9342
91 9UL 0.9342
92 8XL 0.9340
93 N8Y 0.9336
94 GZ2 0.9334
95 TMG 0.9333
96 9FE 0.9332
97 54X 0.9329
98 4BY 0.9328
99 BPU 0.9327
100 0W1 0.9324
101 ICB 0.9319
102 9ZE 0.9316
103 3R4 0.9313
104 EXD 0.9312
105 KTJ 0.9311
106 BNL 0.9305
107 78Y 0.9304
108 2FQ 0.9304
109 4BL 0.9303
110 D48 0.9299
111 0SY 0.9297
112 ZRK 0.9296
113 5QY 0.9293
114 ESP 0.9292
115 15E 0.9291
116 N91 0.9289
117 JTA 0.9288
118 GVG 0.9287
119 4V2 0.9282
120 FDR 0.9280
121 MSR 0.9278
122 6TZ 0.9277
123 S98 0.9275
124 WS7 0.9272
125 GF4 0.9267
126 GNV 0.9263
127 VXX 0.9260
128 6NT 0.9259
129 2WU 0.9257
130 9R5 0.9256
131 0F9 0.9250
132 E7S 0.9247
133 6KT 0.9246
134 R20 0.9245
135 8ZE 0.9244
136 J5I 0.9243
137 HBO 0.9242
138 0HN 0.9240
139 HQJ 0.9239
140 CK2 0.9238
141 0XT 0.9238
142 G3E 0.9236
143 0HO 0.9235
144 27B 0.9234
145 N2M 0.9232
146 UNJ 0.9227
147 8W9 0.9227
148 1F1 0.9224
149 9AP 0.9223
150 RKV 0.9221
151 3ZB 0.9215
152 0N7 0.9215
153 SG2 0.9213
154 H5B 0.9211
155 LDR 0.9208
156 LFN 0.9208
157 SE2 0.9207
158 SLS 0.9205
159 AJV 0.9205
160 28A 0.9203
161 G12 0.9199
162 M1Z 0.9198
163 2O6 0.9198
164 428 0.9198
165 R9Y 0.9197
166 JAW 0.9196
167 ZHA 0.9196
168 2ZM 0.9194
169 ZME 0.9192
170 DNF 0.9190
171 2HU 0.9190
172 A5H 0.9190
173 8G6 0.9189
174 2JK 0.9188
175 TOF 0.9187
176 E1K 0.9184
177 E3X 0.9178
178 QIV 0.9174
179 AZ9 0.9173
180 L5V 0.9172
181 PPY 0.9170
182 3A9 0.9169
183 HQD 0.9166
184 4KL 0.9165
185 NRA 0.9164
186 5RO 0.9163
187 JRO 0.9160
188 1Z6 0.9160
189 0FR 0.9160
190 PH2 0.9152
191 X0W 0.9152
192 MPV 0.9151
193 MD6 0.9147
194 SKF 0.9146
195 FHC 0.9145
196 9TF 0.9144
197 4I8 0.9142
198 5NI 0.9141
199 4HB 0.9141
200 92P 0.9139
201 JF8 0.9138
202 ONR 0.9138
203 BEA 0.9136
204 JB8 0.9136
205 6RQ 0.9134
206 ABI 0.9132
207 3NY 0.9131
208 ZYQ 0.9130
209 2HC 0.9130
210 JDN 0.9129
211 WS6 0.9126
212 TT4 0.9126
213 2J1 0.9125
214 6NI 0.9125
215 C2Y 0.9121
216 CX6 0.9119
217 2D2 0.9115
218 8MO 0.9115
219 4JQ 0.9113
220 ROI 0.9113
221 DK1 0.9112
222 A5E 0.9111
223 SNU 0.9110
224 1DR 0.9109
225 4FF 0.9108
226 KUF 0.9106
227 DXK 0.9105
228 ALE 0.9103
229 ENO 0.9101
230 MQN 0.9098
231 JYB 0.9097
232 IWT 0.9092
233 FCD 0.9091
234 HX4 0.9088
235 CPZ 0.9085
236 6FZ 0.9085
237 AMR 0.9085
238 Y3L 0.9083
239 DNA 0.9083
240 M5H 0.9078
241 J6W 0.9077
242 GO8 0.9077
243 4LW 0.9076
244 F4E 0.9072
245 KDV 0.9072
246 97T 0.9070
247 N2I 0.9067
248 5GT 0.9067
249 KW8 0.9066
250 LQ2 0.9065
251 0TU 0.9064
252 GHM 0.9063
253 TCR 0.9062
254 DX3 0.9061
255 B21 0.9060
256 LEL 0.9060
257 A29 0.9056
258 7I2 0.9055
259 8WO 0.9055
260 5F8 0.9055
261 CLZ 0.9052
262 2GQ 0.9052
263 J9Q 0.9051
264 4NB 0.9050
265 PMP 0.9050
266 3VQ 0.9046
267 GNY 0.9044
268 DIN 0.9043
269 4TU 0.9043
270 JWS 0.9043
271 36E 0.9042
272 WSD 0.9040
273 6ZW 0.9040
274 5LA 0.9040
275 5F5 0.9040
276 TXQ 0.9039
277 4MU 0.9039
278 PIY 0.9039
279 NCT 0.9038
280 B56 0.9038
281 JR2 0.9037
282 0FO 0.9035
283 KMY 0.9035
284 KYA 0.9035
285 2LY 0.9035
286 8WT 0.9034
287 QX4 0.9032
288 TWO 0.9032
289 IAC 0.9029
290 KF5 0.9029
291 5V7 0.9027
292 TZF 0.9025
293 HHR 0.9024
294 PIM 0.9024
295 NAG 0.9022
296 XHP 0.9022
297 UFO 0.9020
298 BQ2 0.9019
299 94W 0.9019
300 JY4 0.9018
301 4YO 0.9015
302 IL5 0.9015
303 IOS 0.9014
304 BIO 0.9009
305 KYN 0.9008
306 DQU 0.9008
307 GVY 0.9007
308 8NB 0.9007
309 2HQ 0.9005
310 4WL 0.9004
311 JF1 0.9003
312 CKA 0.9001
313 F31 0.9001
314 S0E 0.9000
315 6ME 0.8999
316 BGC 0.8999
317 LT2 0.8997
318 AH9 0.8992
319 MOK 0.8991
320 MUK 0.8990
321 28N 0.8988
322 K44 0.8987
323 SRO 0.8987
324 VM1 0.8986
325 209 0.8986
326 MAJ 0.8984
327 ODK 0.8983
328 5WT 0.8983
329 A7W 0.8983
330 MRW 0.8982
331 2FX 0.8980
332 FZM 0.8980
333 ZZA 0.8979
334 K7H 0.8979
335 G14 0.8979
336 HBI 0.8978
337 EVF 0.8977
338 EWG 0.8975
339 B62 0.8974
340 SNO 0.8974
341 3D1 0.8973
342 YZM 0.8972
343 XM5 0.8971
344 JCZ 0.8968
345 I6G 0.8967
346 5GV 0.8965
347 VNL 0.8964
348 3VS 0.8962
349 M6Z 0.8960
350 7O4 0.8960
351 II4 0.8959
352 9CE 0.8959
353 BA5 0.8956
354 86J 0.8954
355 2KA 0.8953
356 1QP 0.8952
357 EMO 0.8952
358 UKV 0.8950
359 OTW 0.8949
360 7MX 0.8949
361 N7I 0.8948
362 R2P 0.8948
363 CWS 0.8948
364 ZEC 0.8947
365 DHB 0.8947
366 F40 0.8946
367 M2K 0.8944
368 XIY 0.8944
369 QMR 0.8944
370 JND 0.8943
371 INO 0.8942
372 PLP 0.8942
373 4P5 0.8940
374 PIQ 0.8938
375 JBZ 0.8937
376 HNT 0.8937
377 4AB 0.8935
378 CZ0 0.8934
379 FER 0.8933
380 36Y 0.8933
381 1QV 0.8933
382 7VP 0.8925
383 MVN 0.8925
384 JF2 0.8924
385 7ME 0.8924
386 CHB 0.8922
387 4ME 0.8922
388 KJU 0.8922
389 4ZA 0.8921
390 S0D 0.8920
391 12Q 0.8918
392 FHB 0.8915
393 CXH 0.8915
394 Z21 0.8915
395 5TZ 0.8914
396 LJ3 0.8914
397 VUP 0.8912
398 2PV 0.8912
399 K25 0.8911
400 2QC 0.8911
401 7AP 0.8910
402 2PK 0.8910
403 H2B 0.8909
404 D3G 0.8909
405 Z5P 0.8908
406 ZRL 0.8907
407 W29 0.8906
408 YTX 0.8906
409 SQ4 0.8905
410 NDG 0.8904
411 SYV 0.8904
412 MS9 0.8904
413 BHQ 0.8902
414 C9E 0.8902
415 2BG 0.8902
416 1L5 0.8901
417 JGB 0.8900
418 774 0.8900
419 4A3 0.8899
420 TTL 0.8898
421 CWJ 0.8894
422 TCA 0.8894
423 3HM 0.8893
424 B4O 0.8890
425 6X9 0.8889
426 P9P 0.8889
427 44V 0.8888
428 LI6 0.8888
429 A7H 0.8888
430 4Z4 0.8887
431 9KT 0.8886
432 TGX 0.8886
433 MUA 0.8884
434 ICO 0.8883
435 M4E 0.8882
436 MNY 0.8881
437 H70 0.8880
438 52C 0.8880
439 BHS 0.8878
440 IQZ 0.8877
441 4AA 0.8877
442 JU2 0.8877
443 1M2 0.8876
444 NNO 0.8876
445 VC3 0.8876
446 LOT 0.8875
447 5FL 0.8873
448 0P6 0.8873
449 KWH 0.8872
450 4GU 0.8872
451 CSN 0.8872
452 4NC 0.8871
453 6BL 0.8870
454 GZL 0.8868
455 PNZ 0.8868
456 3AE 0.8868
457 GDE 0.8865
458 BDP 0.8865
459 IHB 0.8864
460 DNC 0.8864
461 HRD 0.8864
462 44W 0.8863
463 XFE 0.8863
464 61M 0.8863
465 7W1 0.8861
466 V2Z 0.8860
467 657 0.8859
468 PXL 0.8857
469 K68 0.8855
470 E7Z 0.8853
471 8CM 0.8853
472 L99 0.8853
473 1FL 0.8852
474 4AU 0.8851
475 6TJ 0.8851
476 93K 0.8851
477 OCZ 0.8851
478 MNX 0.8850
479 DCZ 0.8848
480 5AD 0.8847
481 2QU 0.8846
482 PD2 0.8845
483 4NO 0.8845
484 BZ3 0.8844
485 SKA 0.8843
486 APZ 0.8843
487 MR6 0.8840
488 ANN 0.8840
489 3D8 0.8839
490 OQC 0.8839
491 SKM 0.8838
492 FLV 0.8837
493 RA7 0.8837
494 549 0.8836
495 9KZ 0.8836
496 DDU 0.8835
497 F5C 0.8835
498 XI7 0.8835
499 H33 0.8835
500 M78 0.8834
501 KT7 0.8832
502 COU 0.8831
503 X8D 0.8830
504 P4L 0.8830
505 OCH 0.8829
506 HQT 0.8828
507 2D3 0.8828
508 4NZ 0.8826
509 PUE 0.8825
510 CHQ 0.8824
511 TR4 0.8824
512 4FS 0.8824
513 EUE 0.8823
514 8HH 0.8823
515 Q0K 0.8822
516 173 0.8822
517 YE7 0.8821
518 22L 0.8820
519 MUR 0.8818
520 ES5 0.8818
521 03V 0.8818
522 5XC 0.8818
523 2JX 0.8817
524 MYJ 0.8817
525 2HO 0.8816
526 5GU 0.8816
527 226 0.8815
528 KJH 0.8815
529 H4E 0.8814
530 CTL 0.8814
531 5RN 0.8813
532 WV7 0.8813
533 795 0.8812
534 FBF 0.8811
535 0UL 0.8811
536 SQ7 0.8809
537 A5Q 0.8809
538 LNR 0.8808
539 H42 0.8808
540 PRF 0.8807
541 KLV 0.8807
542 2AQ 0.8806
543 0NX 0.8805
544 IA2 0.8804
545 I3E 0.8804
546 LDC 0.8803
547 A5P 0.8802
548 TYL 0.8802
549 5OB 0.8802
550 P9E 0.8801
551 MPK 0.8801
552 Q71 0.8800
553 C53 0.8800
554 8D6 0.8799
555 3Z8 0.8797
556 0LO 0.8796
557 DMD 0.8795
558 CB1 0.8793
559 0FN 0.8792
560 9TW 0.8791
561 F18 0.8788
562 EA1 0.8788
563 IPD 0.8788
564 AP4 0.8786
565 RNO 0.8785
566 5NN 0.8785
567 BGP 0.8784
568 56D 0.8783
569 U13 0.8781
570 JAH 0.8780
571 7WR 0.8779
572 27M 0.8779
573 LR5 0.8774
574 J9N 0.8773
575 IV2 0.8773
576 J9T 0.8770
577 EGR 0.8769
578 GNJ 0.8768
579 5VJ 0.8768
580 C0H 0.8767
581 5QX 0.8766
582 G6P 0.8759
583 L03 0.8759
584 N3W 0.8758
585 QMS 0.8758
586 20J 0.8758
587 JLZ 0.8752
588 BVA 0.8752
589 THM 0.8752
590 B1J 0.8747
591 PO6 0.8746
592 TIA 0.8746
593 2AK 0.8745
594 INE 0.8744
595 TTY 0.8743
596 LDP 0.8743
597 DHC 0.8743
598 4XF 0.8741
599 3ID 0.8741
600 M3H 0.8740
601 5NS 0.8738
602 5B2 0.8738
603 GJK 0.8737
604 1X8 0.8736
605 KKN 0.8736
606 P7Y 0.8735
607 7MW 0.8734
608 PDC 0.8733
609 APS 0.8733
610 LZ2 0.8732
611 XDE 0.8732
612 TZM 0.8731
613 URC 0.8730
614 HDH 0.8730
615 DUR 0.8728
616 F4K 0.8726
617 ODO 0.8726
618 CFF 0.8724
619 MFR 0.8724
620 EV2 0.8724
621 P80 0.8724
622 QBP 0.8722
623 1V1 0.8721
624 TRP 0.8720
625 D9Z 0.8720
626 MR4 0.8719
627 DX1 0.8719
628 FUD 0.8718
629 DAH 0.8718
630 IQ5 0.8717
631 FBB 0.8717
632 XIZ 0.8713
633 3R6 0.8711
634 ZEA 0.8710
635 64C 0.8709
636 ES7 0.8709
637 A73 0.8708
638 NID 0.8707
639 THU 0.8703
640 ZYV 0.8703
641 CTE 0.8703
642 3IT 0.8702
643 X0V 0.8702
644 069 0.8702
645 NDH 0.8702
646 1ZC 0.8700
647 S7J 0.8699
648 RD4 0.8698
649 K2T 0.8698
650 75K 0.8697
651 39Z 0.8696
652 BBY 0.8695
653 HKD 0.8692
654 7B3 0.8691
655 5WV 0.8691
656 DBQ 0.8690
657 R6T 0.8688
658 ZIQ 0.8686
659 A1Y 0.8686
660 692 0.8685
661 CCV 0.8684
662 LIP 0.8684
663 AH6 0.8681
664 9BF 0.8681
665 2J2 0.8679
666 GI3 0.8679
667 ISN 0.8678
668 ES2 0.8675
669 6E8 0.8673
670 ET2 0.8673
671 6PB 0.8672
672 PHH 0.8672
673 FGZ 0.8671
674 6VD 0.8671
675 4FH 0.8670
676 HC4 0.8670
677 4G2 0.8670
678 IDZ 0.8667
679 FYR 0.8665
680 18E 0.8664
681 6MW 0.8662
682 YE6 0.8660
683 BZQ 0.8660
684 HCI 0.8660
685 NDD 0.8658
686 SYA 0.8656
687 IOP 0.8655
688 M45 0.8654
689 1P7 0.8653
690 Q77 0.8652
691 WLH 0.8652
692 DBS 0.8651
693 AC2 0.8650
694 UFV 0.8648
695 YZ9 0.8648
696 F9Y 0.8648
697 PHE 0.8646
698 K32 0.8646
699 8TX 0.8646
700 DX7 0.8644
701 QBK 0.8644
702 DOB 0.8644
703 JZA 0.8642
704 259 0.8641
705 2LW 0.8639
706 4FE 0.8639
707 833 0.8638
708 NEU 0.8637
709 4M0 0.8636
710 SWX 0.8636
711 XAZ 0.8635
712 CLW 0.8634
713 5VU 0.8632
714 PQ0 0.8631
715 B5D 0.8630
716 U7E 0.8630
717 36R 0.8629
718 OA3 0.8629
719 JTH 0.8629
720 XQK 0.8628
721 FA0 0.8628
722 J9W 0.8628
723 4CM 0.8626
724 3GX 0.8626
725 2P3 0.8624
726 4AN 0.8623
727 JB5 0.8622
728 4NP 0.8620
729 G1P 0.8618
730 4MB 0.8615
731 YO5 0.8615
732 20D 0.8614
733 BG6 0.8613
734 AJG 0.8613
735 K22 0.8612
736 AZM 0.8611
737 BHA 0.8610
738 5VM 0.8609
739 582 0.8603
740 92G 0.8602
741 I2E 0.8600
742 091 0.8600
743 OVM 0.8600
744 DFL 0.8597
745 5CU 0.8592
746 PE2 0.8590
747 25F 0.8590
748 C4E 0.8590
749 1AJ 0.8590
750 DPZ 0.8588
751 J38 0.8588
752 B55 0.8587
753 M3F 0.8584
754 DX2 0.8582
755 AH3 0.8580
756 A6W 0.8578
757 AQO 0.8575
758 9OF 0.8574
759 47V 0.8573
760 8WZ 0.8573
761 A9B 0.8573
762 SYR 0.8571
763 NPA 0.8570
764 P81 0.8568
765 RSV 0.8560
766 ACE TRP 0.8560
767 6ZE 0.8559
768 HNQ 0.8555
769 I4D 0.8554
770 K37 0.8552
771 F02 0.8551
772 38E 0.8550
773 X2M 0.8550
774 IFP 0.8548
775 EKZ 0.8542
776 8IG 0.8540
777 3DT 0.8540
778 7MU 0.8537
779 5NU 0.8534
780 MCY 0.8534
781 MR5 0.8532
782 OSB 0.8525
783 JA8 0.8523
784 78P 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5K21; Ligand: 6QF; 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: 5k21.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5K21; Ligand: 6QF; 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: 5k21.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5K21; Ligand: 6QF; 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: 5k21.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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