Receptor
PDB id Resolution Class Description Source Keywords
2UXH 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TTGR IN COMPLEX WITH QUERCETIN PSEUDOMONAS PUTIDA TRANSCRIPTION DNA-BINDING TETR FAMILY
Ref.: CRYSTAL STRUCTURES OF MULTIDRUG BINDING PROTEIN TTG COMPLEX WITH ANTIBIOTICS AND PLANT ANTIMICROBIALS. J.MOL.BIOL. V. 369 829 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
QUE A:1211;
B:1211;
Valid;
Valid;
none;
none;
submit data
302.236 C15 H10 O7 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UXI 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE PHLORETIN IN COMPLEX WITH TTGR PSEUDOMONAS PUTIDA TRANSCRIPTION DNA-BINDING TETR FAMILY
Ref.: CRYSTAL STRUCTURES OF MULTIDRUG BINDING PROTEIN TTG COMPLEX WITH ANTIBIOTICS AND PLANT ANTIMICROBIALS. J.MOL.BIOL. V. 369 829 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 2UXH - QUE C15 H10 O7 c1cc(c(cc1....
2 2UXU Kd = 18 uM NAR C15 H12 O5 c1cc(ccc1[....
3 2UXI Kd = 0.05 uM G50 C15 H14 O5 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 2UXH - QUE C15 H10 O7 c1cc(c(cc1....
2 2UXU Kd = 18 uM NAR C15 H12 O5 c1cc(ccc1[....
3 2UXI Kd = 0.05 uM G50 C15 H14 O5 c1cc(ccc1C....
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 2UXH - QUE C15 H10 O7 c1cc(c(cc1....
2 2UXU Kd = 18 uM NAR C15 H12 O5 c1cc(ccc1[....
3 2UXI Kd = 0.05 uM G50 C15 H14 O5 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: QUE; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 QUE 1 1
2 IRH 0.704918 0.882353
3 KMP 0.678571 0.967742
4 J8G 0.65 0.882353
5 MYC 0.649123 1
6 MYU 0.57377 1
7 MRI 0.557377 0.967742
8 FSE 0.52459 0.967742
9 6JM 0.516129 0.967742
10 CC6 0.515625 0.967742
11 QCT 0.481013 0.885714
12 HW2 0.47561 0.756098
13 LU2 0.454545 1
14 NRA 0.40625 0.903226
15 RUT 0.402062 0.738095
Similar Ligands (3D)
Ligand no: 1; Ligand: QUE; Similar ligands found: 604
No: Ligand Similarity coefficient
1 XIL 1.0000
2 DQH 0.9996
3 7LU 0.9931
4 DH2 0.9928
5 HWB 0.9816
6 O9Z 0.9780
7 AGI 0.9780
8 O9T 0.9776
9 O9Q 0.9745
10 6B5 0.9741
11 KXN 0.9722
12 6BK 0.9695
13 J8D 0.9689
14 NAR 0.9674
15 6JP 0.9654
16 BUX 0.9606
17 CWE 0.9582
18 SAK 0.9574
19 H32 0.9572
20 3WL 0.9560
21 57D 0.9543
22 BHF 0.9532
23 DFV 0.9497
24 3JC 0.9488
25 Q12 0.9473
26 AX1 0.9472
27 E9L 0.9376
28 H2W 0.9371
29 DDC 0.9367
30 CDJ 0.9365
31 W8L 0.9360
32 E3U 0.9358
33 20D 0.9356
34 79X 0.9353
35 M3W 0.9348
36 NU3 0.9338
37 BRY 0.9334
38 1V8 0.9334
39 HUL 0.9327
40 7G2 0.9324
41 1V1 0.9323
42 SGW 0.9322
43 6JO 0.9322
44 RGK 0.9321
45 TH1 0.9319
46 041 0.9315
47 BJ4 0.9311
48 AV6 0.9308
49 VT3 0.9305
50 OUG 0.9300
51 A73 0.9294
52 3TI 0.9289
53 DFL 0.9282
54 OSY 0.9280
55 AJ6 0.9280
56 5WW 0.9279
57 40N 0.9278
58 NKI 0.9277
59 OUA 0.9274
60 1R5 0.9270
61 IMK 0.9265
62 AJ4 0.9264
63 D5F 0.9261
64 SZ5 0.9255
65 3F4 0.9253
66 1EL 0.9251
67 2QU 0.9248
68 FL8 0.9246
69 97K 0.9245
70 Q19 0.9241
71 18E 0.9241
72 BZC 0.9236
73 338 0.9232
74 SU9 0.9228
75 25F 0.9219
76 3XL 0.9218
77 X2L 0.9216
78 X8E 0.9215
79 4L2 0.9214
80 5NN 0.9209
81 A63 0.9206
82 0H5 0.9205
83 WLH 0.9193
84 08C 0.9192
85 27F 0.9190
86 DX8 0.9186
87 1Q4 0.9184
88 LI7 0.9183
89 T5J 0.9182
90 ESM 0.9177
91 34L 0.9174
92 6TJ 0.9164
93 3GX 0.9162
94 SDN 0.9157
95 6QT 0.9157
96 244 0.9157
97 FX5 0.9152
98 IDZ 0.9143
99 DX7 0.9140
100 D4X 0.9138
101 1UZ 0.9138
102 BER 0.9138
103 PZB 0.9132
104 6XC 0.9129
105 BL6 0.9128
106 XZ1 0.9127
107 8E3 0.9127
108 2QV 0.9125
109 CUE 0.9123
110 YJX 0.9123
111 E6Q 0.9123
112 SNJ 0.9121
113 LIG 0.9119
114 P34 0.9117
115 1V4 0.9116
116 F40 0.9116
117 MT6 0.9115
118 DTQ 0.9111
119 7L4 0.9110
120 B4L 0.9107
121 Q11 0.9103
122 196 0.9101
123 BL4 0.9096
124 4YF 0.9094
125 OT4 0.9093
126 6DQ 0.9089
127 6QX 0.9086
128 HBO BGC 0.9086
129 K8W 0.9085
130 91F 0.9084
131 1V0 0.9084
132 1AV 0.9084
133 1V3 0.9082
134 5EZ 0.9080
135 69W 0.9076
136 7VF 0.9075
137 X8I 0.9073
138 609 0.9073
139 E98 0.9072
140 CZ0 0.9071
141 1UR 0.9071
142 3WK 0.9070
143 M16 0.9067
144 A64 0.9066
145 6FX 0.9063
146 36K 0.9060
147 1TJ 0.9059
148 553 0.9058
149 ECS 0.9055
150 WST 0.9055
151 3WN 0.9052
152 3WO 0.9052
153 D4O 0.9049
154 GEN 0.9049
155 8M5 0.9048
156 4HG 0.9047
157 YE7 0.9045
158 1HP 0.9045
159 4AJ 0.9042
160 E92 0.9041
161 QUG 0.9041
162 1UT 0.9040
163 NKH 0.9040
164 5DE 0.9038
165 9CE 0.9035
166 WG8 0.9033
167 39R 0.9032
168 YEX 0.9030
169 QS4 0.9028
170 X2M 0.9027
171 OSJ 0.9027
172 3DE 0.9023
173 22T 0.9022
174 SLX 0.9022
175 IDD 0.9013
176 BL7 0.9011
177 39Z 0.9009
178 8E6 0.9008
179 NOM 0.9007
180 Q7U 0.9007
181 D64 0.9007
182 MXM 0.9005
183 DX2 0.9001
184 OPA 0.9001
185 F36 0.9000
186 AOB 0.8998
187 43G 0.8996
188 3QI 0.8995
189 19E 0.8994
190 36I 0.8992
191 8EC 0.8990
192 TQ1 0.8990
193 7FZ 0.8990
194 L6Y 0.8990
195 INR 0.8987
196 5E1 0.8985
197 7EH 0.8980
198 4RV 0.8980
199 797 0.8977
200 9YD 0.8976
201 15Q 0.8975
202 P4L 0.8975
203 6DE 0.8974
204 21E 0.8973
205 GJW 0.8969
206 4B8 0.8969
207 35K 0.8966
208 NYJ 0.8966
209 0MB 0.8964
210 68C 0.8962
211 OTA 0.8960
212 H50 0.8959
213 8SK 0.8959
214 O53 0.8958
215 PJK 0.8958
216 5KN 0.8956
217 0SX 0.8955
218 47X 0.8954
219 MHB 0.8953
220 7FC 0.8951
221 DEH 0.8950
222 658 0.8948
223 4V9 0.8947
224 U14 0.8946
225 UAY 0.8946
226 K2C 0.8945
227 E8Z 0.8940
228 G2V 0.8940
229 OAK 0.8939
230 272 0.8939
231 9XZ 0.8935
232 B06 0.8932
233 AO 0.8932
234 5Z5 0.8932
235 RDL 0.8930
236 DN8 0.8926
237 NW1 0.8925
238 XEZ 0.8924
239 PIQ 0.8923
240 IXM 0.8923
241 123 0.8921
242 697 0.8921
243 0O7 0.8918
244 CU8 0.8916
245 NIF 0.8914
246 7A9 0.8914
247 4E2 0.8912
248 3G5 0.8910
249 NGV 0.8909
250 5E5 0.8909
251 FNT 0.8906
252 L2K 0.8905
253 4CN 0.8904
254 T61 0.8902
255 DXK 0.8902
256 L3L 0.8901
257 5ZM 0.8901
258 121 0.8899
259 0DF 0.8899
260 3Q0 0.8898
261 802 0.8897
262 7M5 0.8897
263 IQZ 0.8896
264 LVY 0.8896
265 IY5 0.8895
266 4E3 0.8894
267 ECZ 0.8893
268 NPZ 0.8893
269 334 0.8889
270 BIT 0.8889
271 J2W 0.8888
272 2BE 0.8888
273 2V4 0.8886
274 T21 0.8886
275 14I 0.8884
276 907 0.8882
277 GA2 0.8881
278 MR4 0.8881
279 GPK 0.8880
280 RHN 0.8879
281 AIQ 0.8877
282 IW6 0.8877
283 OA4 0.8875
284 BMZ 0.8875
285 122 0.8875
286 EBB 0.8875
287 ZRL 0.8875
288 BUN 0.8874
289 1YL 0.8874
290 B7H 0.8873
291 01I 0.8873
292 3Q1 0.8873
293 KS5 0.8872
294 M23 0.8871
295 AZN 0.8864
296 4L6 0.8864
297 JTF 0.8858
298 7DE 0.8858
299 IIH 0.8857
300 7M2 0.8856
301 HRD 0.8855
302 XYP XYP 0.8854
303 GNG 0.8852
304 NVS 0.8852
305 4ZF 0.8849
306 HCC 0.8849
307 ZZ1 GLA 0.8846
308 5XM 0.8846
309 4YE 0.8845
310 2ZI 0.8845
311 C4E 0.8844
312 TVC 0.8843
313 AP6 0.8843
314 5XL 0.8842
315 LZ7 0.8841
316 Q92 0.8840
317 ML2 0.8839
318 CMG 0.8839
319 BK2 0.8839
320 5DN 0.8838
321 2OX 0.8836
322 801 0.8834
323 AJ8 0.8833
324 361 0.8830
325 YK9 0.8830
326 BGC BGC 0.8830
327 29F 0.8827
328 1FL 0.8827
329 UN9 0.8827
330 NAB 0.8826
331 OAL 0.8826
332 WUL 0.8825
333 CR4 0.8824
334 T34 0.8821
335 ML1 0.8821
336 120 0.8820
337 EES 0.8819
338 205 0.8818
339 P2L 0.8816
340 AXX 0.8815
341 BU7 0.8812
342 LM7 0.8811
343 K6N 0.8810
344 LUM 0.8809
345 2PW 0.8809
346 245 0.8809
347 Y70 0.8807
348 5B2 0.8806
349 CK8 0.8806
350 GQZ 0.8805
351 6XR 0.8805
352 6F3 0.8803
353 4K2 0.8803
354 LFN 0.8802
355 UUL 0.8802
356 2RB 0.8801
357 HH6 0.8800
358 RF2 0.8799
359 0DJ 0.8799
360 76P 0.8798
361 06R 0.8797
362 Q8G 0.8793
363 GN5 0.8792
364 F4U 0.8792
365 AUG 0.8791
366 3CA 0.8791
367 EMU 0.8787
368 3AK 0.8787
369 38E 0.8785
370 4UB 0.8785
371 AUE 0.8785
372 4KN 0.8783
373 5TQ 0.8781
374 0HV 0.8781
375 4P9 0.8778
376 GWD 0.8778
377 53X 0.8777
378 ASE 0.8777
379 JOH 0.8776
380 KOM 0.8776
381 31F 0.8775
382 HWH 0.8775
383 499 0.8775
384 64F 0.8775
385 9X0 0.8772
386 5P3 0.8772
387 SQM 0.8771
388 A05 0.8770
389 6X1 0.8770
390 3Q2 0.8768
391 Q8D 0.8768
392 B2L 0.8768
393 3MI 0.8766
394 W2E 0.8765
395 U12 0.8765
396 MR5 0.8765
397 FZB 0.8765
398 XAV 0.8764
399 5E2 0.8764
400 JTN 0.8764
401 FL9 0.8763
402 2AN 0.8763
403 Q0K 0.8762
404 CX6 0.8760
405 136 0.8759
406 9ME 0.8759
407 NXB 0.8756
408 OSD 0.8755
409 52F 0.8755
410 CUH 0.8754
411 0OK 0.8753
412 9KQ 0.8753
413 1FJ 0.8752
414 I0G 0.8752
415 XYS AZI XYS 0.8751
416 FHI 0.8748
417 49J 0.8748
418 4R0 0.8747
419 II4 0.8747
420 ZJB 0.8746
421 F08 0.8745
422 62D 0.8745
423 AVX 0.8745
424 4VB 0.8744
425 362 0.8742
426 2GQ 0.8742
427 B2E 0.8741
428 C17 0.8740
429 5ER 0.8740
430 GKW 0.8738
431 517 0.8738
432 BIE 0.8738
433 47V 0.8737
434 OSG 0.8737
435 6H2 0.8736
436 RPB 0.8735
437 IK1 0.8734
438 DLZ 0.8734
439 9JT 0.8734
440 3D8 0.8731
441 9OF 0.8731
442 MRE 0.8730
443 AQN 0.8729
444 Q20 0.8729
445 2UV 0.8729
446 HFT 0.8726
447 EI1 0.8724
448 MQS 0.8723
449 6WL 0.8722
450 PE2 0.8722
451 OAQ 0.8722
452 BXS 0.8721
453 F13 0.8719
454 1K0 0.8719
455 9K2 0.8719
456 QNM 0.8716
457 2UD 0.8715
458 PNX 0.8714
459 ICD 0.8713
460 NE2 0.8712
461 LR2 0.8709
462 IPJ 0.8708
463 LJ5 0.8708
464 EZB 0.8706
465 8WB 0.8703
466 TGW 0.8703
467 CTI 0.8702
468 M9K 0.8701
469 5P7 0.8701
470 GLC GLC 0.8699
471 0NJ 0.8698
472 A9B 0.8698
473 EFX 0.8697
474 BBP 0.8697
475 3WJ 0.8697
476 BXZ 0.8696
477 7G0 0.8694
478 EST 0.8691
479 DHT 0.8690
480 K4T 0.8689
481 58N 0.8688
482 PCQ 0.8684
483 EQU 0.8684
484 FJR 0.8683
485 2WF 0.8682
486 5WT 0.8681
487 35G 0.8680
488 DMB 0.8679
489 TNC 0.8679
490 5V7 0.8678
491 0NH 0.8672
492 GAL BGC 0.8672
493 8G6 0.8672
494 5YA 0.8671
495 IYX 0.8671
496 XYS XYS 0.8670
497 3RH 0.8670
498 3UG 0.8670
499 9N2 0.8669
500 KN1 0.8669
501 K6B 0.8667
502 BGC GAL 0.8663
503 JNW 0.8663
504 XYS XYP 0.8660
505 824 0.8659
506 J2Q 0.8659
507 1AJ 0.8658
508 IXE 0.8658
509 ZAR 0.8655
510 090 0.8651
511 CK6 0.8651
512 2WU 0.8649
513 1DR 0.8646
514 4GU 0.8643
515 5OR 0.8642
516 Q5M 0.8640
517 CFK 0.8639
518 6VW 0.8639
519 EF2 0.8639
520 UN4 0.8636
521 4RG 0.8635
522 J84 0.8635
523 YL3 0.8631
524 VRV 0.8631
525 27M 0.8631
526 ZRK 0.8630
527 DY9 0.8629
528 ADL 0.8629
529 MG7 0.8628
530 JKN 0.8627
531 789 0.8627
532 FSU 0.8626
533 TOL 0.8622
534 8HG 0.8619
535 8LW 0.8619
536 SIJ 0.8618
537 108 0.8616
538 2JX 0.8616
539 61Y 0.8614
540 T98 0.8612
541 X0T 0.8612
542 P9I 0.8610
543 VAR 0.8610
544 YE6 0.8610
545 BDE 0.8608
546 GLC BGC 0.8607
547 TCW 0.8605
548 KLV 0.8605
549 M3F 0.8605
550 PIT 0.8604
551 LZJ 0.8603
552 785 0.8603
553 S98 0.8603
554 Q9G 0.8601
555 FXE 0.8600
556 LMZ 0.8598
557 3RP 0.8597
558 UQ1 0.8596
559 833 0.8596
560 TES 0.8596
561 ATU 0.8595
562 2XY 0.8595
563 KVW 0.8594
564 B2X 0.8594
565 EV2 0.8594
566 4BE 0.8591
567 CZA 0.8591
568 FYR 0.8591
569 397 0.8591
570 113 0.8591
571 1XS 0.8588
572 KU1 0.8586
573 1CE 0.8586
574 EUL 0.8583
575 5NB 0.8581
576 RFZ 0.8580
577 LWS 0.8579
578 F18 0.8579
579 J3Z 0.8579
580 LC1 0.8576
581 2FA 0.8576
582 28A 0.8574
583 MR6 0.8571
584 QR2 0.8571
585 R4E 0.8571
586 4QX 0.8561
587 135 0.8560
588 STL 0.8559
589 VXP 0.8556
590 ZTW 0.8555
591 2GE 0.8553
592 GS1 GS1 0.8552
593 HFS 0.8551
594 5I5 0.8550
595 57U 0.8542
596 Q4G 0.8540
597 PNJ 0.8540
598 6EL 0.8539
599 H4B 0.8537
600 IQQ 0.8534
601 XEV 0.8528
602 MBT 0.8527
603 4AU 0.8524
604 BG8 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UXI; Ligand: G50; 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: 2uxi.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2UXI; Ligand: G50; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 2uxi.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6RQP OLC 4.36681
Pocket No.: 3; Query (leader) PDB : 2UXI; Ligand: G50; 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: 2uxi.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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