Receptor
PDB id Resolution Class Description Source Keywords
5FRY 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE PHENOL-RESPONSIVE SENSORY DOMAIN OF TRANSCRIPTION ACTIVATOR POXR WITH 3,5-DIMETHYLPHENOL CUPRIAVIDUS NECATOR TRANSCRIPTION PHENOL DMPR ENHANCER-BINDING PROTEIN ACTIVATPASE FAMILY
Ref.: STRUCTURAL ANALYSIS OF THE PHENOL-RESPONSIVE SENSOR OF THE TRANSCRIPTION ACTIVATOR POXR STRUCTURE V. 624 24 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:1208;
A:1208;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
ERH B:1209;
A:1209;
 Valid;
Valid;
 none;
none;
 Kd = 4 uM
122.164 C8 H10 O Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FS0 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE PHENOL-RESPONSIVE SENSORY DOMAIN OF TRANSCRIPTION ACTIVATOR POXR WITH 2,4-DICHLOROPHENOL CUPRIAVIDUS NECATOR TRANSCRIPTION PHENOL DMPR ENHANCER-BINDING PROTEIN ACTIVATPASE FAMILY
Ref.: STRUCTURAL ANALYSIS OF THE PHENOL-RESPONSIVE SENSOR OF THE TRANSCRIPTION ACTIVATOR POXR STRUCTURE V. 624 24 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
3 5KBE Kd = 0.46 uM IPH C6 H6 O c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ERH; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ERH 1 1
2 AW5 0.433333 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: ERH; Similar ligands found: 584
No: Ligand Similarity coefficient
1 5ZE 1.0000
2 13X 1.0000
3 5AN 1.0000
4 3AY 1.0000
5 6UA 1.0000
6 AX2 1.0000
7 WDL 0.9972
8 BR8 0.9965
9 TCZ 0.9952
10 2ZX 0.9946
11 2DR 0.9746
12 CRS 0.9720
13 2A7 0.9703
14 URA 0.9674
15 RCO 0.9666
16 LG3 0.9666
17 S76 0.9661
18 LG5 0.9643
19 26D 0.9632
20 8GF 0.9624
21 CYT 0.9622
22 7MH 0.9617
23 35C 0.9615
24 284 0.9602
25 3CH 0.9597
26 T6C 0.9594
27 ZZ3 0.9592
28 BVF 0.9584
29 JIF 0.9581
30 AUD 0.9555
31 TBP 0.9518
32 CIG 0.9512
33 B3R 0.9510
34 12M 0.9509
35 4H2 0.9506
36 DUC 0.9496
37 XYP 0.9485
38 DUB 0.9473
39 G6D 0.9469
40 M3T 0.9461
41 JFD 0.9461
42 PYG 0.9461
43 IDH 0.9459
44 47J 0.9455
45 25W 0.9440
46 HEW 0.9440
47 HGQ 0.9427
48 2MY 0.9420
49 2CM 0.9419
50 3FA 0.9406
51 MBD 0.9403
52 6MH 0.9402
53 HHQ 0.9401
54 2C9 0.9392
55 BTE 0.9389
56 9HX 0.9373
57 ADE 0.9368
58 9DA 0.9364
59 HPA 0.9358
60 23A 0.9353
61 JZ3 0.9350
62 FLM 0.9332
63 FUL 0.9330
64 7HP 0.9329
65 3MA 0.9328
66 FFP 0.9321
67 PM6 0.9320
68 94N 0.9319
69 CYH 0.9311
70 TM4 0.9309
71 9DG 0.9304
72 GUN 0.9300
73 CXL 0.9293
74 HPY 0.9289
75 7WA 0.9284
76 C2A 0.9284
77 ORO 0.9283
78 3CE 0.9282
79 ES4 0.9280
80 GMN 0.9277
81 285 0.9276
82 H3M 0.9275
83 R8A 0.9275
84 10L 0.9265
85 II6 0.9265
86 XAN 0.9262
87 AZA 0.9259
88 AHR 0.9256
89 6MP 0.9255
90 6AP 0.9254
91 3MH 0.9253
92 3MC 0.9250
93 XXR 0.9248
94 BP1 0.9238
95 F5B 0.9237
96 4JO 0.9236
97 4ZE 0.9235
98 ADK 0.9235
99 URF 0.9235
100 QOS 0.9234
101 290 0.9234
102 A2F 0.9234
103 SWD 0.9233
104 MWM 0.9231
105 IGA 0.9230
106 A1U 0.9226
107 AZG 0.9222
108 DX4 0.9222
109 1XM 0.9220
110 141 0.9220
111 TM7 0.9219
112 MCT 0.9218
113 40O 0.9218
114 43M 0.9216
115 CFP 0.9215
116 ICP 0.9212
117 BOA 0.9210
118 HT4 0.9207
119 2AC 0.9204
120 0CU 0.9204
121 OXC 0.9204
122 NK 0.9202
123 5JC 0.9201
124 P3K 0.9199
125 XBZ 0.9196
126 TDR 0.9196
127 6GU 0.9194
128 3Z7 0.9194
129 YH7 0.9190
130 GIO 0.9190
131 D1X 0.9188
132 BGC 0.9187
133 FCB 0.9186
134 3ZQ 0.9186
135 G3F 0.9185
136 GLC 0.9185
137 2YU 0.9185
138 MZG 0.9185
139 RSF 0.9184
140 WBU 0.9183
141 RM4 0.9182
142 FUC 0.9181
143 XYS 0.9180
144 BR9 0.9179
145 1XN 0.9179
146 XYD 0.9179
147 34A 0.9179
148 MFB 0.9178
149 4JJ 0.9173
150 1MC 0.9173
151 2MP 0.9171
152 4CL 0.9170
153 BCP 0.9170
154 GBD 0.9170
155 HAI 0.9168
156 27Y 0.9164
157 92Z 0.9162
158 DOR 0.9162
159 MWJ 0.9161
160 M2H 0.9161
161 EXO 0.9161
162 4HO 0.9151
163 JZ2 0.9150
164 GCS 0.9146
165 LXC 0.9146
166 IPZ 0.9146
167 Y8I 0.9146
168 275 0.9144
169 286 0.9143
170 RNS 0.9141
171 PYD 0.9140
172 34D 0.9133
173 V1L 0.9132
174 5MH 0.9131
175 HH5 0.9130
176 IPH 0.9130
177 FP2 0.9128
178 TH0 0.9127
179 DFB 0.9127
180 HSL 0.9120
181 TLD 0.9119
182 5UC 0.9118
183 278 0.9117
184 282 0.9112
185 IFM 0.9111
186 CAQ 0.9108
187 SAL 0.9106
188 KIA 0.9105
189 8S0 0.9103
190 OXQ 0.9098
191 L89 0.9097
192 NMJ 0.9096
193 280 0.9095
194 4ZC 0.9093
195 FUF 0.9093
196 MBN 0.9086
197 2IM 0.9085
198 HY3 0.9084
199 5CL 0.9082
200 GAG 0.9079
201 RP7 0.9079
202 76X 0.9076
203 8LG 0.9075
204 4AP 0.9073
205 R8S 0.9067
206 WOT 0.9057
207 2AP 0.9057
208 1AN 0.9053
209 FPI 0.9053
210 3AP 0.9050
211 60P 0.9049
212 F81 0.9046
213 KSW 0.9046
214 ICC 0.9042
215 2AF 0.9040
216 0R0 0.9039
217 IUR 0.9038
218 GAL 0.9037
219 KIB 0.9036
220 JBE 0.9033
221 9PO 0.9029
222 4CS 0.9026
223 Q88 0.9025
224 MB3 0.9024
225 93Q 0.9024
226 1WD 0.9022
227 MMZ 0.9021
228 HVK 0.9017
229 GXE 0.9013
230 HRZ 0.9013
231 JZ0 0.9012
232 938 0.9012
233 8CL 0.9012
234 AZF 0.9011
235 ISE 0.9009
236 FYU 0.9008
237 A2Q 0.9007
238 BEW 0.9007
239 24T 0.9005
240 LGA 0.9004
241 DTI 0.9003
242 OXZ 0.9002
243 NOJ 0.9002
244 2CH 0.9000
245 MLT 0.8996
246 ES6 0.8996
247 BE2 0.8995
248 HTS 0.8992
249 OXE 0.8991
250 NEQ 0.8990
251 149 0.8990
252 1XX 0.8989
253 RAM 0.8989
254 TTO 0.8985
255 AS3 0.8985
256 6X8 0.8985
257 ES0 0.8984
258 FPK 0.8983
259 5AC 0.8981
260 M1E 0.8981
261 CWM 0.8980
262 INS 0.8979
263 4SV 0.8978
264 DIE 0.8977
265 3NT 0.8976
266 O7U 0.8976
267 H76 0.8974
268 AMC 0.8974
269 ABN 0.8972
270 RIB 0.8970
271 EV0 0.8969
272 ECE 0.8969
273 PIH 0.8967
274 JKE 0.8967
275 BMA 0.8966
276 GLA 0.8962
277 3U4 0.8958
278 2FG 0.8958
279 HBX 0.8957
280 23W 0.8955
281 7WV 0.8954
282 DMI 0.8953
283 DPF 0.8951
284 HHN 0.8949
285 7CZ 0.8944
286 SYN 0.8943
287 C2U 0.8940
288 XQG 0.8939
289 G4D 0.8934
290 4XR 0.8931
291 3XX 0.8928
292 ZWZ 0.8928
293 ARA 0.8921
294 24W 0.8920
295 N5J 0.8917
296 261 0.8916
297 HGW 0.8914
298 FCA 0.8913
299 F0J 0.8912
300 SVN 0.8911
301 UNC 0.8911
302 PYF 0.8911
303 FOT 0.8904
304 DGY 0.8902
305 TMT 0.8901
306 7HQ 0.8900
307 NBE 0.8900
308 7EX 0.8900
309 IJZ 0.8899
310 ARB 0.8898
311 HQY 0.8898
312 ES1 0.8894
313 0TR 0.8894
314 B53 0.8892
315 E60 0.8889
316 F05 0.8889
317 JPZ 0.8889
318 5Q0 0.8889
319 HJP 0.8889
320 2D0 0.8887
321 5IQ 0.8886
322 MT0 0.8886
323 5SG 0.8883
324 YAN 0.8883
325 DFU 0.8881
326 PHT 0.8881
327 RIP 0.8880
328 KYD 0.8880
329 HZQ 0.8880
330 9EW 0.8880
331 NTM 0.8879
332 64K 0.8878
333 4XX 0.8877
334 1DW 0.8876
335 495 0.8875
336 HYN 0.8874
337 CEJ 0.8873
338 PY7 0.8873
339 HH8 0.8873
340 7NI 0.8872
341 LGC 0.8869
342 2H5 0.8867
343 HMH 0.8866
344 GAB 0.8865
345 B2J 0.8865
346 JZ1 0.8865
347 1LQ 0.8865
348 3HB 0.8863
349 TFU 0.8863
350 4YS 0.8862
351 I3A 0.8862
352 YIO 0.8862
353 4XH 0.8861
354 YHO 0.8861
355 93B 0.8858
356 MAN 0.8858
357 L60 0.8855
358 1NP 0.8855
359 V55 0.8852
360 9MG 0.8851
361 MSN 0.8850
362 1SQ 0.8849
363 1LM 0.8849
364 0MK 0.8849
365 VNJ 0.8848
366 DHK 0.8847
367 B55 0.8847
368 AKH 0.8846
369 GIF 0.8846
370 GIV 0.8844
371 SER 0.8844
372 5M0 0.8842
373 FPY 0.8842
374 APY 0.8840
375 5RG 0.8839
376 AGK 0.8838
377 7B4 0.8837
378 PXL 0.8835
379 ZZT 0.8835
380 6CS 0.8833
381 3AB 0.8832
382 8IG 0.8832
383 JBH 0.8831
384 GVH 0.8831
385 3F0 0.8829
386 8GC 0.8828
387 BZF 0.8828
388 GYE 0.8828
389 1P3 0.8828
390 1GN 0.8823
391 1MR 0.8820
392 HLR 0.8820
393 0CT 0.8818
394 OVV 0.8817
395 DQN 0.8817
396 54G 0.8816
397 Q6T 0.8815
398 URQ 0.8813
399 9TY 0.8811
400 WCE 0.8810
401 IND 0.8810
402 PYJ 0.8809
403 O72 0.8809
404 GTQ 0.8808
405 SHG 0.8808
406 3BZ 0.8806
407 KLW 0.8805
408 BZI 0.8805
409 F3B 0.8803
410 3OC 0.8802
411 IDM 0.8801
412 9TZ 0.8801
413 IP0 0.8801
414 150 0.8797
415 HMU 0.8796
416 8TX 0.8796
417 BRT 0.8793
418 DIU 0.8793
419 4JP 0.8792
420 HX3 0.8791
421 2XX 0.8790
422 BBF 0.8790
423 0RW 0.8789
424 HFB 0.8788
425 KBG 0.8787
426 PAF 0.8785
427 GLY PRO 0.8785
428 9X7 0.8785
429 3MG 0.8784
430 B24 0.8784
431 N8P 0.8784
432 3M0 0.8784
433 PCI 0.8783
434 MBG 0.8783
435 FP1 0.8781
436 39A 0.8781
437 ASP 0.8780
438 4PW 0.8780
439 42A 0.8780
440 MPI 0.8780
441 3DM 0.8779
442 5HN 0.8778
443 53C 0.8778
444 6HQ 0.8775
445 0R1 0.8770
446 2CQ 0.8770
447 4M4 0.8768
448 3HA 0.8766
449 EQT 0.8766
450 42C 0.8764
451 URC 0.8764
452 329 0.8763
453 CYS 0.8763
454 6AI 0.8761
455 F4Z 0.8761
456 MO8 0.8759
457 X6X 0.8758
458 5MK 0.8757
459 FGZ 0.8755
460 LZM 0.8754
461 EUG 0.8753
462 KOJ 0.8753
463 DEN 0.8749
464 BCF 0.8749
465 QWW 0.8748
466 3MB 0.8747
467 LZ1 0.8747
468 6M4 0.8745
469 PE0 0.8745
470 DBH 0.8745
471 1WG 0.8744
472 UEG 0.8742
473 IBF 0.8741
474 SX1 0.8737
475 DTL 0.8737
476 TC7 0.8736
477 YSO 0.8736
478 M1A 0.8736
479 9CL 0.8736
480 4AX 0.8735
481 OEM 0.8734
482 MZW 0.8731
483 FE DB1 0.8729
484 TZE 0.8728
485 PFB 0.8727
486 45C 0.8726
487 TMZ 0.8726
488 3SK 0.8725
489 5WX 0.8725
490 N7P 0.8725
491 AZ8 0.8720
492 75K 0.8720
493 2AL 0.8720
494 ITN 0.8718
495 BTY 0.8717
496 BZX 0.8717
497 ADZ 0.8717
498 GDE 0.8716
499 2ZV 0.8714
500 Q24 0.8712
501 LSA 0.8708
502 67N 0.8704
503 25T 0.8702
504 6LW 0.8701
505 JFJ 0.8700
506 M5K 0.8698
507 5JL 0.8698
508 M6N 0.8697
509 HSE 0.8697
510 JBK 0.8695
511 6PC 0.8694
512 FW5 0.8692
513 PBR 0.8692
514 4XV 0.8690
515 XIX 0.8690
516 DMG 0.8690
517 YTB 0.8686
518 LRH 0.8682
519 HLZ 0.8681
520 4HC 0.8681
521 MEW 0.8679
522 LMR 0.8677
523 5JQ 0.8677
524 FDB 0.8676
525 AQO 0.8672
526 I1N 0.8671
527 JZ9 0.8670
528 6F0 0.8670
529 D07 0.8669
530 R2B 0.8669
531 4XS 0.8665
532 SF9 0.8663
533 AJ2 0.8663
534 GRE 0.8661
535 HHA 0.8660
536 CRN 0.8660
537 ES9 0.8659
538 DRL 0.8659
539 5MB 0.8659
540 12B 0.8657
541 XAZ 0.8656
542 KPL 0.8656
543 J9W 0.8652
544 BEZ 0.8650
545 6M9 0.8645
546 QSH 0.8643
547 7VS 0.8643
548 82I 0.8642
549 7VJ 0.8634
550 NBZ 0.8633
551 KT7 0.8631
552 3IT 0.8630
553 RUU 0.8625
554 5MI 0.8624
555 F60 0.8620
556 260 0.8620
557 5NU 0.8619
558 5H1 0.8618
559 QPR 0.8616
560 14O 0.8616
561 2K4 0.8612
562 DAB 0.8611
563 11S 0.8609
564 H4N 0.8607
565 G5V 0.8606
566 M1Q 0.8605
567 GAF 0.8600
568 M0W 0.8599
569 270 0.8595
570 M0Q 0.8594
571 6JN 0.8591
572 MAK 0.8591
573 DBJ 0.8580
574 UAN 0.8578
575 P92 0.8574
576 FK1 0.8574
577 J1Z 0.8569
578 EDG 0.8564
579 3RK 0.8560
580 MLI 0.8559
581 ASO 0.8540
582 7WR 0.8525
583 PBE 0.8524
584 FPN 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FS0; Ligand: 5JC; 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: 5fs0.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FS0; Ligand: 5JC; 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: 5fs0.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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