Receptor
PDB id Resolution Class Description Source Keywords
2V57 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE TETR-LIKE TRANSCRIPTIONAL REGULATOR LFRR FROM MYCOBACTERIUM SMEGMATIS IN COMPLEX W ITH PROFLAVINE MYCOBACTERIUM SMEGMATIS TETR LFRR REPRESSOR DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURAL PLASTICITY AND DISTINCT DRUG-BINDING MODES OF LFRR, A MYCOBACTERIAL EFFLUX PUMP REGULATOR. J.BACTERIOL. V. 191 7531 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IPA A:1189;
C:1189;
 Invalid;
Invalid;
 none;
none;
 submit data
60.095 C3 H8 O CC(C)...
PRL A:1188;
C:1187;
 Valid;
Valid;
 none;
none;
 Kd = 79 nM
209.247 C13 H11 N3 c1cc(...
SO4 B:1187;
B:1188;
C:1188;
D:1187;
D:1188;
D:1189;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V57 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE TETR-LIKE TRANSCRIPTIONAL REGULATOR LFRR FROM MYCOBACTERIUM SMEGMATIS IN COMPLEX W ITH PROFLAVINE MYCOBACTERIUM SMEGMATIS TETR LFRR REPRESSOR DNA-BINDING TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURAL PLASTICITY AND DISTINCT DRUG-BINDING MODES OF LFRR, A MYCOBACTERIAL EFFLUX PUMP REGULATOR. J.BACTERIOL. V. 191 7531 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 2V57 Kd = 79 nM PRL C13 H11 N3 c1cc(cc2c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 2V57 Kd = 79 nM PRL C13 H11 N3 c1cc(cc2c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 2V57 Kd = 79 nM PRL C13 H11 N3 c1cc(cc2c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PRL 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PRL; Similar ligands found: 709
No: Ligand Similarity coefficient
1 6FB 0.9817
2 K7H 0.9748
3 LUM 0.9638
4 FQX 0.9588
5 HRM 0.9578
6 S98 0.9566
7 2WU 0.9565
8 AN3 0.9559
9 S0D 0.9554
10 X0U 0.9538
11 2JX 0.9529
12 QIV 0.9515
13 BIK 0.9509
14 0UL 0.9502
15 1DR 0.9483
16 BGU 0.9476
17 XCG 0.9472
18 S60 0.9469
19 CX6 0.9466
20 NRA 0.9459
21 ITE 0.9444
22 OLU 0.9444
23 THA 0.9437
24 28A 0.9433
25 1FE 0.9427
26 ANF 0.9424
27 JCZ 0.9406
28 27M 0.9405
29 JRO 0.9404
30 3R4 0.9396
31 LFN 0.9391
32 LR8 0.9387
33 AA 0.9386
34 3VQ 0.9385
35 TMG 0.9383
36 TCR 0.9377
37 6QF 0.9376
38 6SD 0.9373
39 ANC 0.9373
40 JAH 0.9369
41 Y3L 0.9364
42 363 0.9364
43 7FU 0.9357
44 H4B 0.9356
45 HRD 0.9355
46 4I8 0.9351
47 ZSP 0.9350
48 2J1 0.9349
49 4CN 0.9347
50 VC3 0.9346
51 0FR 0.9342
52 E1K 0.9341
53 X48 0.9341
54 HH6 0.9327
55 AJG 0.9325
56 833 0.9321
57 HNT 0.9319
58 4AU 0.9309
59 ZHA 0.9308
60 ERZ 0.9308
61 2PK 0.9307
62 A5H 0.9306
63 3VS 0.9300
64 FZM 0.9296
65 GVY 0.9291
66 4BY 0.9290
67 7AP 0.9289
68 ZRK 0.9286
69 5TY 0.9285
70 4BL 0.9284
71 344 0.9278
72 Q0K 0.9278
73 E3X 0.9277
74 3ZB 0.9276
75 FHV 0.9275
76 G14 0.9269
77 272 0.9260
78 0SY 0.9260
79 5E5 0.9259
80 2P3 0.9254
81 0K7 0.9253
82 UNJ 0.9252
83 N0Z 0.9252
84 3VX 0.9251
85 JBZ 0.9247
86 DRG 0.9246
87 BQ2 0.9245
88 4HB 0.9242
89 2D2 0.9242
90 2PV 0.9237
91 BP7 0.9237
92 KMY 0.9234
93 CNI 0.9232
94 ODK 0.9231
95 WV7 0.9230
96 TID 0.9230
97 0NJ 0.9230
98 PIQ 0.9229
99 IQ5 0.9227
100 AJ1 0.9226
101 7EH 0.9224
102 B1J 0.9224
103 2QC 0.9223
104 6KT 0.9222
105 78Y 0.9219
106 795 0.9218
107 EMO 0.9212
108 1XS 0.9210
109 C82 0.9210
110 4FF 0.9203
111 LZ5 0.9198
112 RA7 0.9196
113 WS6 0.9196
114 ZZA 0.9193
115 7L4 0.9192
116 BZJ 0.9192
117 2GQ 0.9190
118 NAG 0.9189
119 801 0.9188
120 JMG 0.9188
121 GO2 0.9188
122 KLE 0.9187
123 BVS 0.9186
124 FYR 0.9183
125 LL1 0.9183
126 SWX 0.9181
127 92G 0.9181
128 J1K 0.9177
129 BPY 0.9177
130 K3D 0.9176
131 428 0.9173
132 F40 0.9171
133 A9B 0.9170
134 IDZ 0.9169
135 N91 0.9168
136 KF5 0.9168
137 5H6 0.9167
138 6P3 0.9166
139 CR4 0.9165
140 FF2 0.9163
141 BBY 0.9161
142 EQA 0.9159
143 DNQ 0.9157
144 NDD 0.9156
145 3J8 0.9154
146 68A 0.9154
147 DPT 0.9152
148 GZ2 0.9150
149 L03 0.9148
150 PUE 0.9147
151 C4E 0.9146
152 WS7 0.9144
153 KLV 0.9144
154 FCD 0.9143
155 NKI 0.9141
156 II4 0.9141
157 4GU 0.9141
158 ENO 0.9140
159 120 0.9140
160 5GV 0.9139
161 JA5 0.9137
162 4UM 0.9136
163 20D 0.9136
164 BIO 0.9136
165 5GT 0.9136
166 3QV 0.9135
167 XYS XYP 0.9132
168 EST 0.9131
169 NPX 0.9130
170 GNV 0.9130
171 JTA 0.9126
172 2LW 0.9126
173 P4L 0.9126
174 NK5 0.9126
175 BMZ 0.9125
176 8CC 0.9124
177 1HN 0.9123
178 1ZC 0.9123
179 RSV 0.9123
180 1V1 0.9120
181 0NX 0.9115
182 RGK 0.9114
183 PQM 0.9114
184 3D8 0.9114
185 EN1 0.9113
186 IQZ 0.9109
187 4RU 0.9109
188 30G 0.9106
189 DX7 0.9105
190 47V 0.9105
191 MR6 0.9105
192 AVX 0.9104
193 GJP 0.9096
194 39Z 0.9095
195 JF8 0.9094
196 4G2 0.9093
197 5VU 0.9092
198 AO 0.9091
199 KLS 0.9090
200 8D6 0.9088
201 XYP XYP 0.9088
202 5WT 0.9087
203 DFL 0.9085
204 F02 0.9083
205 657 0.9077
206 1AJ 0.9076
207 HBO 0.9076
208 H2B 0.9076
209 HBI 0.9076
210 9UL 0.9075
211 5SJ 0.9075
212 4AB 0.9075
213 J38 0.9075
214 2FX 0.9073
215 5TT 0.9073
216 B98 0.9072
217 9CE 0.9069
218 YE7 0.9067
219 XI7 0.9065
220 SZ5 0.9063
221 WLH 0.9059
222 15E 0.9057
223 EQU 0.9057
224 JP2 0.9056
225 7G2 0.9055
226 9CA 0.9055
227 A73 0.9055
228 K97 0.9054
229 A5Q 0.9054
230 L2K 0.9053
231 NEU 0.9052
232 5B2 0.9052
233 1EB 0.9051
234 3F4 0.9051
235 TRP 0.9050
236 ZEC 0.9046
237 DUR 0.9046
238 MR4 0.9045
239 DXK 0.9041
240 CK2 0.9040
241 6H2 0.9039
242 397 0.9037
243 2K8 0.9037
244 HHS 0.9036
245 MBT 0.9035
246 VUP 0.9034
247 CUE 0.9033
248 124 0.9032
249 QBP 0.9032
250 0DF 0.9031
251 F18 0.9031
252 U13 0.9031
253 V1T 0.9030
254 F2W 0.9030
255 NPS 0.9030
256 GNM 0.9029
257 YZ9 0.9028
258 CH9 0.9028
259 9FL 0.9026
260 28B 0.9026
261 25F 0.9022
262 7O4 0.9022
263 3SU 0.9021
264 2QU 0.9021
265 MD6 0.9020
266 1IT 0.9019
267 X6W 0.9017
268 NEO 0.9017
269 KYN 0.9017
270 M78 0.9016
271 AES 0.9015
272 6MW 0.9014
273 MUK 0.9011
274 YE6 0.9008
275 549 0.9006
276 5AD 0.9002
277 E1T 0.9001
278 C53 0.8999
279 9R5 0.8994
280 5OR 0.8993
281 1V3 0.8992
282 27B 0.8992
283 4XF 0.8992
284 Z21 0.8992
285 8V8 0.8991
286 3L1 0.8989
287 A8D 0.8989
288 JG8 0.8988
289 A6W 0.8988
290 KW8 0.8986
291 S0E 0.8986
292 F4E 0.8986
293 LIG 0.8984
294 MSR 0.8983
295 WA1 0.8981
296 1A7 0.8980
297 RKV 0.8979
298 5F8 0.8978
299 3Y7 0.8978
300 18E 0.8975
301 62D 0.8975
302 15N 0.8975
303 MKN 0.8974
304 6VW 0.8973
305 LO1 0.8972
306 8XL 0.8968
307 0JD 0.8967
308 PEY 0.8964
309 RYV 0.8963
310 A7H 0.8962
311 4V2 0.8956
312 A05 0.8955
313 GNY 0.8954
314 1V4 0.8954
315 1VK 0.8954
316 AMR 0.8953
317 OQC 0.8952
318 EZL 0.8950
319 122 0.8950
320 ZEA 0.8948
321 L22 0.8947
322 6DQ 0.8942
323 PPY 0.8942
324 F4K 0.8941
325 V2Z 0.8940
326 MMJ 0.8939
327 J3Z 0.8937
328 GOE 0.8936
329 5LA 0.8936
330 S7S 0.8935
331 8MO 0.8934
332 JWS 0.8934
333 EES 0.8933
334 SJK 0.8932
335 E7S 0.8932
336 CHQ 0.8930
337 THM 0.8929
338 ET0 0.8926
339 8NX 0.8926
340 9TF 0.8925
341 FHC 0.8924
342 6ZE 0.8924
343 D2G 0.8923
344 DAH 0.8922
345 6FG 0.8922
346 MXD 0.8920
347 ZYR 0.8918
348 4BX 0.8918
349 802 0.8918
350 LQ2 0.8917
351 P9E 0.8917
352 CZ0 0.8917
353 K44 0.8917
354 NIF 0.8917
355 CSN 0.8917
356 D3G 0.8916
357 7MW 0.8916
358 SLS 0.8913
359 ALE 0.8911
360 I2E 0.8910
361 1OT 0.8909
362 BA5 0.8908
363 5FL 0.8907
364 A5E 0.8907
365 ESX 0.8905
366 SKF 0.8905
367 EV2 0.8904
368 HX4 0.8904
369 G2V 0.8904
370 ZRL 0.8902
371 5TZ 0.8901
372 L1T 0.8900
373 121 0.8900
374 P7V 0.8900
375 AOX 0.8898
376 BZ2 0.8897
377 36M 0.8896
378 0BP 0.8896
379 SNO 0.8893
380 LOT 0.8893
381 3XR 0.8893
382 5M2 0.8893
383 DT7 0.8892
384 IWT 0.8891
385 1FL 0.8891
386 SU9 0.8889
387 MR5 0.8888
388 4NR 0.8885
389 TJM 0.8885
390 CPZ 0.8885
391 KP2 0.8884
392 SNU 0.8882
393 RQD 0.8882
394 9NB 0.8881
395 M4N 0.8881
396 A63 0.8880
397 CKA 0.8880
398 0LA 0.8877
399 D26 0.8877
400 AJY 0.8877
401 1HP 0.8876
402 AOY 0.8875
403 IS2 0.8874
404 EUE 0.8873
405 4NB 0.8873
406 52F 0.8872
407 PJW 0.8871
408 7KE 0.8870
409 9KZ 0.8869
410 08C 0.8869
411 7VP 0.8869
412 X11 0.8867
413 FDR 0.8865
414 9ZE 0.8864
415 DBE 0.8862
416 2FQ 0.8862
417 ICB 0.8861
418 1F1 0.8860
419 92O 0.8860
420 9JT 0.8860
421 DHC 0.8860
422 GNJ 0.8857
423 4FC 0.8857
424 BNL 0.8857
425 EAE 0.8856
426 54X 0.8856
427 DDU 0.8855
428 5NN 0.8855
429 PH2 0.8855
430 492 0.8854
431 J6W 0.8853
432 ESP 0.8853
433 VM1 0.8852
434 ZTW 0.8852
435 UAY 0.8851
436 5VL 0.8850
437 TZF 0.8848
438 ZYQ 0.8848
439 5SD 0.8847
440 KWV 0.8845
441 DHT 0.8845
442 1Z6 0.8844
443 M5H 0.8842
444 3D3 0.8840
445 N2M 0.8840
446 B21 0.8839
447 KU1 0.8839
448 AOM 0.8838
449 5V7 0.8838
450 2UD 0.8836
451 6ZW 0.8835
452 2QV 0.8834
453 NQ8 0.8834
454 GB5 0.8833
455 38E 0.8830
456 D25 0.8828
457 D9Z 0.8827
458 CWJ 0.8827
459 97K 0.8826
460 GZV 0.8824
461 AP6 0.8824
462 ESZ 0.8823
463 P4T 0.8823
464 537 0.8822
465 1EL 0.8820
466 D1Y 0.8820
467 IOP 0.8820
468 BZE 0.8819
469 FMQ 0.8819
470 72D 0.8818
471 0LO 0.8817
472 EWG 0.8816
473 94W 0.8815
474 DNA 0.8815
475 TES 0.8814
476 245 0.8814
477 26C 0.8814
478 LEL 0.8813
479 PMP 0.8812
480 17M 0.8811
481 TXQ 0.8810
482 DX2 0.8809
483 GF4 0.8808
484 A51 0.8808
485 XYS XYS 0.8805
486 BX4 0.8802
487 OCZ 0.8800
488 UN9 0.8797
489 WUB 0.8794
490 4HG 0.8793
491 FBC 0.8792
492 ASD 0.8792
493 A98 0.8791
494 80G 0.8790
495 8HC 0.8790
496 3AE 0.8790
497 5F5 0.8788
498 4FE 0.8788
499 I3E 0.8788
500 HC4 0.8787
501 RHN 0.8787
502 8NB 0.8785
503 EQW 0.8785
504 H5B 0.8784
505 A7N 0.8784
506 SSY 0.8782
507 4ZF 0.8782
508 LJ3 0.8781
509 X2M 0.8780
510 Q9T 0.8780
511 N2I 0.8778
512 LC1 0.8777
513 6C8 0.8777
514 0FK 0.8776
515 5XL 0.8776
516 LR2 0.8773
517 AQN 0.8770
518 RDT 0.8770
519 M83 0.8769
520 4LW 0.8768
521 VT3 0.8766
522 RNO 0.8765
523 3D1 0.8764
524 1YL 0.8764
525 AGI 0.8762
526 7FZ 0.8761
527 TIY 0.8760
528 AD6 0.8760
529 3GX 0.8759
530 GNG 0.8758
531 JGB 0.8757
532 IQW 0.8757
533 S62 0.8755
534 P81 0.8752
535 2JK 0.8752
536 27F 0.8749
537 FNT 0.8749
538 4NP 0.8748
539 KDV 0.8748
540 MPV 0.8746
541 6NT 0.8745
542 W8L 0.8745
543 91F 0.8745
544 2PW 0.8744
545 DBS 0.8744
546 K4V 0.8744
547 8ZE 0.8743
548 8M5 0.8743
549 K25 0.8742
550 HJ7 0.8741
551 PLP 0.8741
552 ANB 0.8739
553 TT4 0.8739
554 KTJ 0.8738
555 6FZ 0.8737
556 0HN 0.8737
557 57D 0.8736
558 5OO 0.8736
559 27K 0.8733
560 R18 0.8733
561 G6P 0.8733
562 CTE 0.8732
563 6C4 0.8732
564 GB4 0.8731
565 IIH 0.8731
566 CDJ 0.8731
567 MUR 0.8731
568 ADN 0.8729
569 LR5 0.8728
570 IOS 0.8727
571 KTW 0.8726
572 8SK 0.8725
573 4MB 0.8725
574 WSD 0.8723
575 8G6 0.8722
576 19E 0.8722
577 TIA 0.8719
578 TYR 0.8719
579 22L 0.8718
580 36Y 0.8718
581 HC8 0.8717
582 6C5 0.8716
583 1UZ 0.8715
584 4NS 0.8714
585 4NZ 0.8714
586 5TO 0.8713
587 B56 0.8712
588 2J2 0.8712
589 0XT 0.8711
590 M3W 0.8708
591 TR4 0.8708
592 IAC 0.8705
593 5WN 0.8705
594 FBF 0.8701
595 MJW 0.8701
596 7MX 0.8701
597 EVF 0.8700
598 RVE 0.8699
599 2ZM 0.8698
600 GVI 0.8697
601 KYA 0.8695
602 ESI 0.8694
603 H2W 0.8693
604 FER 0.8693
605 E9L 0.8693
606 1QV 0.8693
607 ADL 0.8691
608 DT9 0.8691
609 WG8 0.8690
610 HHR 0.8690
611 GEN 0.8689
612 60L 0.8686
613 0HO 0.8685
614 2HC 0.8684
615 9FG 0.8684
616 BZQ 0.8680
617 LFQ 0.8678
618 DCZ 0.8676
619 QMR 0.8675
620 R20 0.8670
621 6DH 0.8669
622 JDN 0.8666
623 JB8 0.8665
624 3A9 0.8664
625 4CM 0.8663
626 P93 0.8662
627 S7J 0.8661
628 ZME 0.8660
629 5NI 0.8660
630 VGS 0.8660
631 QR2 0.8659
632 MQN 0.8657
633 SOJ 0.8657
634 2HU 0.8654
635 3W8 0.8654
636 PH3 0.8654
637 RCV 0.8653
638 DK1 0.8653
639 92P 0.8651
640 6NI 0.8649
641 BVA 0.8646
642 P80 0.8644
643 ESJ 0.8642
644 0XR 0.8642
645 IA2 0.8641
646 NDG 0.8638
647 JAW 0.8636
648 KJU 0.8635
649 0TU 0.8634
650 7G0 0.8634
651 56D 0.8632
652 GO8 0.8631
653 GXD 0.8630
654 1V0 0.8630
655 3NY 0.8628
656 36E 0.8626
657 HA5 0.8624
658 BBP 0.8623
659 3WL 0.8622
660 LI7 0.8620
661 U14 0.8616
662 613 0.8613
663 ANN 0.8612
664 5GU 0.8611
665 4YO 0.8610
666 D48 0.8608
667 B2E 0.8608
668 6BK 0.8608
669 F5C 0.8607
670 39O 0.8607
671 FUD 0.8606
672 4JQ 0.8605
673 3VW 0.8604
674 RYY 0.8601
675 6RQ 0.8601
676 GDL 0.8600
677 JY4 0.8599
678 90M 0.8599
679 Q92 0.8599
680 9AP 0.8598
681 A29 0.8595
682 MFR 0.8595
683 J9N 0.8590
684 334 0.8590
685 8W9 0.8585
686 M6Z 0.8583
687 3PF 0.8583
688 FT2 0.8579
689 MS9 0.8579
690 6L6 0.8578
691 NAR 0.8577
692 Z94 0.8576
693 AWE 0.8572
694 OUA 0.8570
695 MAJ 0.8569
696 K68 0.8549
697 NE1 0.8548
698 ROI 0.8539
699 LU2 0.8537
700 U7E 0.8536
701 BPU 0.8535
702 M3F 0.8533
703 A5P 0.8526
704 G3E 0.8525
705 PK3 0.8522
706 R9Y 0.8522
707 9FH 0.8516
708 15Q 0.8510
709 F36 0.8501
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V57; Ligand: PRL; 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: 2v57.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2V57; Ligand: PRL; 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: 2v57.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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