Receptor
PDB id Resolution Class Description Source Keywords
6AZQ 2.22 Å EC: 7.-.-.- STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF A NON-CANONIC HYDROLASE (BIUH) FROM THE CYANURIC ACID CATABOLISM PATHWAY R HIZOBIUM LEGUMINASORUM BV. VICIAE 3841 RHIZOBIUM LEGUMINOSARUM BV. VICIAE (ST3841) S-TRIAZINE XENOBIOTIC HYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE HYDROLASE (BIUH) FROM THE CYANURIC ACID CATABOLISM OF RHIZOBIUM LEGUMINASORUM BV. VICIAE 3841. PLOS ONE V. 13 92736 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C5J B:301;
H:301;
G:301;
E:301;
A:301;
C:301;
D:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
submit data
103.08 C2 H5 N3 O2 C(=O)...
CA B:302;
C:302;
C:303;
G:302;
F:301;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6AZQ 2.22 Å EC: 7.-.-.- STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF A NON-CANONIC HYDROLASE (BIUH) FROM THE CYANURIC ACID CATABOLISM PATHWAY R HIZOBIUM LEGUMINASORUM BV. VICIAE 3841 RHIZOBIUM LEGUMINOSARUM BV. VICIAE (ST3841) S-TRIAZINE XENOBIOTIC HYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF THE HYDROLASE (BIUH) FROM THE CYANURIC ACID CATABOLISM OF RHIZOBIUM LEGUMINASORUM BV. VICIAE 3841. PLOS ONE V. 13 92736 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 6AZQ - C5J C2 H5 N3 O2 C(=O)(N)NC....
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 6AZQ - C5J C2 H5 N3 O2 C(=O)(N)NC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 6AZQ - C5J C2 H5 N3 O2 C(=O)(N)NC....
2 6XJM - C5J C2 H5 N3 O2 C(=O)(N)NC....
3 6XJ4 - C5J C2 H5 N3 O2 C(=O)(N)NC....
4 6XJE - TIU C3 H6 N4 O3 C(=O)(N)NC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C5J; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 C5J 1 1
2 TIU 0.6 0.888889
3 NMU 0.5 0.615385
4 URE 0.454545 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: C5J; Similar ligands found: 665
No: Ligand Similarity coefficient
1 MLA 1.0000
2 MLI 1.0000
3 MLM 1.0000
4 P2D 1.0000
5 DMG 1.0000
6 AAE 0.9992
7 3HR 0.9955
8 IVA 0.9945
9 3HL 0.9890
10 PRO 0.9844
11 OXD 0.9819
12 HYN 0.9763
13 CEJ 0.9757
14 DTL 0.9756
15 24T 0.9742
16 FOA 0.9717
17 3PY 0.9702
18 OXL 0.9702
19 E60 0.9690
20 2KT 0.9681
21 PYC 0.9668
22 MAK 0.9668
23 KG7 0.9639
24 XIX 0.9614
25 JBN 0.9613
26 SER 0.9606
27 BVC 0.9603
28 273 0.9593
29 J1Z 0.9590
30 25T 0.9589
31 MZ0 0.9584
32 TP5 0.9583
33 PYR 0.9580
34 URA 0.9572
35 23W 0.9568
36 TZC 0.9567
37 3CH 0.9565
38 2PC 0.9564
39 3OH 0.9563
40 RCO 0.9558
41 SAR 0.9554
42 DPR 0.9542
43 NVI 0.9530
44 CRS 0.9530
45 KIV 0.9527
46 LG3 0.9526
47 26D 0.9525
48 265 0.9525
49 PRS 0.9523
50 CYT 0.9516
51 TFB 0.9512
52 EGD 0.9509
53 LG5 0.9505
54 IHG 0.9501
55 HIU 0.9500
56 8GF 0.9499
57 BVF 0.9499
58 PYM 0.9498
59 ALO 0.9497
60 IPU 0.9495
61 HDA 0.9494
62 BAL 0.9494
63 BU4 0.9493
64 MPD 0.9491
65 284 0.9491
66 HUI 0.9489
67 DXX 0.9485
68 OXM 0.9482
69 AOA 0.9480
70 JAB 0.9476
71 CYS 0.9476
72 C21 0.9471
73 CP 0.9471
74 GOL 0.9466
75 MSF 0.9456
76 DGY 0.9453
77 BVG 0.9452
78 HPY 0.9448
79 DSN 0.9448
80 ABA 0.9444
81 CXL 0.9439
82 BUA 0.9437
83 SAT 0.9430
84 IPH 0.9428
85 IDH 0.9427
86 DUC 0.9422
87 S0H 0.9420
88 THR 0.9420
89 V1L 0.9419
90 HGY 0.9419
91 A2Q 0.9418
92 TB6 0.9417
93 1DU 0.9415
94 CIG 0.9415
95 M3T 0.9410
96 IQ0 0.9410
97 9PO 0.9409
98 DE2 0.9408
99 VAL 0.9404
100 BMD 0.9399
101 2RA 0.9398
102 03W 0.9397
103 PAE 0.9388
104 HRZ 0.9383
105 CYH 0.9379
106 B3R 0.9378
107 SMV 0.9375
108 4H2 0.9372
109 SLP 0.9372
110 SMB 0.9367
111 2OP 0.9366
112 LER 0.9362
113 LAC 0.9361
114 RP7 0.9360
115 BUQ 0.9358
116 C2N 0.9356
117 ABU 0.9355
118 BAQ 0.9352
119 OHG 0.9351
120 HAI 0.9351
121 HVQ 0.9350
122 HEW 0.9348
123 FBJ 0.9347
124 DAL 0.9346
125 MRY 0.9344
126 2IM 0.9342
127 HGQ 0.9338
128 4AP 0.9334
129 AMC 0.9333
130 1DH 0.9332
131 4JU 0.9331
132 7VD 0.9330
133 HBR 0.9329
134 JZ5 0.9329
135 RSF 0.9326
136 HV2 0.9326
137 MBN 0.9326
138 3AP 0.9325
139 282 0.9324
140 DCL 0.9322
141 FUM 0.9319
142 SIN 0.9319
143 39J 0.9312
144 A3B 0.9307
145 1AC 0.9307
146 MTG 0.9307
147 3MT 0.9305
148 SYN 0.9305
149 BUB 0.9304
150 BUO 0.9304
151 CHT 0.9303
152 HVK 0.9301
153 2AP 0.9301
154 DCY 0.9301
155 HBS 0.9295
156 7EX 0.9292
157 HSE 0.9292
158 PCT 0.9292
159 HBX 0.9291
160 5Y9 0.9291
161 LGA 0.9290
162 L60 0.9289
163 AKB 0.9289
164 285 0.9286
165 PLQ 0.9285
166 FW5 0.9284
167 3ZQ 0.9279
168 MAE 0.9279
169 H3M 0.9278
170 GXE 0.9278
171 GBL 0.9277
172 SSN 0.9275
173 T2C 0.9275
174 HQE 0.9273
175 3TR 0.9273
176 ABN 0.9272
177 93B 0.9271
178 WOT 0.9270
179 4MZ 0.9265
180 2MZ 0.9264
181 CAQ 0.9264
182 ALQ 0.9261
183 MMZ 0.9259
184 PRI 0.9257
185 HX2 0.9254
186 PYF 0.9254
187 ALA 0.9253
188 NMG 0.9252
189 UY7 0.9248
190 FPI 0.9248
191 2EZ 0.9244
192 3BB 0.9243
193 LEA 0.9241
194 OXQ 0.9239
195 MZY 0.9237
196 PUT 0.9236
197 XAP 0.9236
198 2MH 0.9235
199 GBD 0.9234
200 HHQ 0.9234
201 PCR 0.9232
202 0R1 0.9232
203 1MZ 0.9232
204 2AI 0.9232
205 HZP 0.9229
206 BZI 0.9228
207 MR3 0.9227
208 DBB 0.9225
209 4JP 0.9225
210 IND 0.9223
211 NAK 0.9223
212 DEN 0.9222
213 HOW 0.9221
214 GVH 0.9220
215 MZW 0.9220
216 BZF 0.9219
217 MPI 0.9218
218 5MP 0.9216
219 LZ1 0.9214
220 GAG 0.9213
221 HSM 0.9213
222 BXO 0.9213
223 3GR 0.9213
224 1CB 0.9211
225 1DQ 0.9211
226 FPN 0.9210
227 MCT 0.9210
228 BEN 0.9210
229 FJO 0.9207
230 PY7 0.9207
231 4HA 0.9206
232 APY 0.9206
233 HYP 0.9203
234 DA1 0.9200
235 OAA 0.9198
236 0CT 0.9197
237 MB3 0.9197
238 YCP 0.9194
239 BEZ 0.9194
240 6PC 0.9194
241 AMT 0.9193
242 8CL 0.9193
243 HCS 0.9193
244 BAM 0.9192
245 URF 0.9184
246 TH0 0.9183
247 MWM 0.9183
248 XBT 0.9182
249 PXY 0.9179
250 TDR 0.9178
251 JZ6 0.9178
252 NIS 0.9176
253 LG4 0.9175
254 69O 0.9174
255 9CL 0.9169
256 192 0.9169
257 HY3 0.9168
258 5AC 0.9168
259 25R 0.9167
260 NTN 0.9164
261 IDM 0.9164
262 1SP 0.9163
263 ETX 0.9163
264 ATQ 0.9163
265 BEW 0.9163
266 PZA 0.9162
267 4HO 0.9158
268 NCA 0.9158
269 2HA 0.9157
270 ECE 0.9155
271 JZ0 0.9155
272 54D 0.9155
273 5KX 0.9154
274 PCA 0.9151
275 NBZ 0.9150
276 NIO 0.9146
277 OXE 0.9145
278 MEU 0.9144
279 8LG 0.9144
280 2AC 0.9143
281 KSW 0.9142
282 2HE 0.9141
283 4ZE 0.9141
284 9X7 0.9136
285 M6W 0.9136
286 1AN 0.9136
287 L89 0.9133
288 40O 0.9131
289 VGL 0.9131
290 THE 0.9129
291 FP2 0.9128
292 ICP 0.9126
293 PYD 0.9126
294 TMT 0.9125
295 LLQ 0.9123
296 FCN 0.9123
297 ODV 0.9121
298 6SP 0.9121
299 TZL 0.9119
300 ZBT 0.9119
301 WBU 0.9119
302 OPE 0.9118
303 93Q 0.9117
304 60P 0.9113
305 2AF 0.9113
306 HHN 0.9111
307 SGL 0.9108
308 92Z 0.9107
309 MMU 0.9106
310 275 0.9104
311 A1U 0.9101
312 PPF 0.9101
313 9YL 0.9101
314 AC5 0.9099
315 34A 0.9099
316 8X3 0.9098
317 2CH 0.9098
318 JZ7 0.9097
319 FLA 0.9097
320 TTO 0.9094
321 ITU 0.9094
322 5UC 0.9093
323 TMZ 0.9091
324 2MP 0.9091
325 76X 0.9090
326 GXV 0.9089
327 B24 0.9089
328 BML 0.9085
329 BP9 0.9083
330 938 0.9081
331 1PT 0.9081
332 XBZ 0.9080
333 280 0.9080
334 1MR 0.9080
335 JZ9 0.9079
336 1MC 0.9079
337 MRZ 0.9076
338 14J 0.9076
339 PYJ 0.9075
340 XYD 0.9075
341 BYZ 0.9070
342 UNU 0.9067
343 NBE 0.9062
344 YHO 0.9062
345 NK 0.9061
346 QSC 0.9059
347 ILE 0.9058
348 MZG 0.9058
349 HTS 0.9057
350 H95 0.9056
351 AHR 0.9049
352 4CL 0.9048
353 TAU 0.9046
354 5JC 0.9043
355 TF4 0.9043
356 4CH 0.9043
357 PIH 0.9042
358 2YU 0.9042
359 BAE 0.9041
360 5MH 0.9041
361 4JJ 0.9040
362 YAN 0.9038
363 SS1 0.9034
364 CIZ 0.9033
365 TM7 0.9033
366 43M 0.9031
367 SS2 0.9031
368 POA 0.9030
369 VAH 0.9030
370 MTD 0.9029
371 DTI 0.9028
372 4HS 0.9028
373 PBC 0.9025
374 DSS 0.9024
375 6X8 0.9022
376 FPY 0.9022
377 LDU 0.9022
378 FAH 0.9017
379 ASN 0.9016
380 GG6 0.9015
381 TAR 0.9014
382 4XX 0.9012
383 ICC 0.9012
384 BTL 0.9012
385 IUR 0.9011
386 HT4 0.9007
387 JZ2 0.9003
388 PXO 0.9000
389 4JN 0.8998
390 27Y 0.8996
391 PE9 0.8994
392 PPV 0.8994
393 HGW 0.8992
394 AC0 0.8990
395 XRG 0.8989
396 ES3 0.8988
397 ASP 0.8987
398 AML 0.8986
399 4JO 0.8984
400 BR9 0.8984
401 XYL 0.8983
402 RB5 0.8983
403 M58 0.8980
404 IT2 0.8978
405 PPI 0.8978
406 9A4 0.8977
407 MLT 0.8977
408 XYS 0.8977
409 UYA 0.8977
410 HY1 0.8975
411 4MV 0.8973
412 FQI 0.8973
413 MWJ 0.8967
414 TEO 0.8966
415 3MC 0.8965
416 GLY 0.8965
417 XYP 0.8963
418 3CL 0.8962
419 POP 0.8958
420 FFP 0.8952
421 TAY 0.8945
422 GMN 0.8945
423 PYG 0.8945
424 HSL 0.8943
425 GLV 0.8943
426 3FA 0.8942
427 XPO 0.8940
428 PYZ 0.8936
429 4SD 0.8935
430 2DR 0.8933
431 EFS 0.8927
432 GOA 0.8926
433 BZX 0.8924
434 JZ3 0.8923
435 BNS 0.8922
436 FLM 0.8922
437 CRD 0.8921
438 9A7 0.8919
439 P7I 0.8919
440 PAH 0.8918
441 VX 0.8917
442 LMR 0.8914
443 F3V 0.8913
444 2C9 0.8912
445 UGC 0.8912
446 ISU 0.8911
447 DTU 0.8908
448 2RH 0.8907
449 PGA 0.8907
450 NBN 0.8905
451 LXC 0.8903
452 2K4 0.8902
453 C2A 0.8902
454 MBD 0.8899
455 D2P 0.8897
456 3ZS 0.8897
457 XUL 0.8893
458 2MY 0.8892
459 A8C 0.8892
460 PIS 0.8888
461 ETM 0.8886
462 4AX 0.8884
463 R8A 0.8881
464 5H1 0.8881
465 47J 0.8880
466 DMI 0.8879
467 XLS 0.8878
468 3MH 0.8875
469 0R0 0.8875
470 IOL 0.8875
471 PKU 0.8874
472 ITN 0.8870
473 5MB 0.8870
474 14O 0.8869
475 6M4 0.8869
476 F60 0.8868
477 TLD 0.8868
478 6AI 0.8867
479 R2B 0.8866
480 CSS 0.8865
481 COM 0.8863
482 13D 0.8860
483 9SB 0.8860
484 CRN 0.8858
485 ES9 0.8856
486 HLR 0.8855
487 IMR 0.8853
488 HLT 0.8850
489 9EW 0.8844
490 1XX 0.8843
491 AKR 0.8841
492 M2H 0.8838
493 B20 0.8838
494 LEU 0.8838
495 OK7 0.8836
496 RSO 0.8836
497 5MI 0.8835
498 NIE 0.8835
499 L3Q 0.8835
500 0TR 0.8834
501 NXA 0.8831
502 286 0.8829
503 98J 0.8828
504 278 0.8828
505 SVN 0.8826
506 0RW 0.8824
507 HAE 0.8823
508 Y8I 0.8823
509 DYA 0.8821
510 1DV 0.8820
511 7WG 0.8817
512 7CZ 0.8816
513 6M9 0.8814
514 3CE 0.8811
515 JZ1 0.8807
516 2CM 0.8806
517 2PN 0.8806
518 HBA 0.8805
519 1DW 0.8805
520 6MH 0.8804
521 1AB 0.8803
522 PAF 0.8803
523 AGU 0.8801
524 11S 0.8801
525 NHY 0.8800
526 F05 0.8800
527 QUZ 0.8799
528 CFI 0.8797
529 1WG 0.8796
530 FK1 0.8795
531 JAE 0.8782
532 QOS 0.8778
533 BNZ 0.8776
534 0PY 0.8776
535 DAS 0.8774
536 KPL 0.8774
537 HIO 0.8771
538 HPA 0.8770
539 Z6J 0.8767
540 MGX 0.8766
541 COI 0.8762
542 270 0.8760
543 AX7 0.8760
544 H4N 0.8759
545 URP 0.8756
546 HVB 0.8755
547 8NY 0.8752
548 TM4 0.8750
549 FAN 0.8749
550 CMS 0.8746
551 150 0.8746
552 PHZ 0.8741
553 2MI 0.8741
554 ETF 0.8739
555 40E 0.8737
556 O7U 0.8735
557 F50 0.8734
558 DUB 0.8734
559 JBE 0.8733
560 P92 0.8730
561 R3W 0.8730
562 SPA 0.8727
563 NPY 0.8727
564 SAL 0.8725
565 6MP 0.8719
566 4CS 0.8718
567 TLA 0.8717
568 3HB 0.8712
569 4VP 0.8712
570 2CQ 0.8710
571 3Z7 0.8708
572 4XR 0.8706
573 NMJ 0.8703
574 IOM 0.8702
575 SRT 0.8702
576 BE2 0.8700
577 3Q7 0.8700
578 NIZ 0.8699
579 ISZ 0.8697
580 NPO 0.8695
581 13X 0.8690
582 4ZC 0.8689
583 BHO 0.8689
584 R8S 0.8686
585 IFM 0.8685
586 ES4 0.8684
587 6HQ 0.8680
588 9TY 0.8679
589 PHB 0.8678
590 3AB 0.8678
591 ABV 0.8673
592 TFS 0.8673
593 2A1 0.8673
594 5HN 0.8671
595 MXN 0.8671
596 RIP 0.8669
597 4SV 0.8669
598 51F 0.8669
599 61G 0.8668
600 3U4 0.8665
601 9DA 0.8665
602 AGK 0.8664
603 GAB 0.8662
604 DFU 0.8662
605 XM0 0.8659
606 PBE 0.8658
607 2CK 0.8658
608 KOJ 0.8655
609 ABE 0.8653
610 ADE 0.8651
611 PM6 0.8651
612 3NT 0.8651
613 OXZ 0.8646
614 AX2 0.8646
615 FMS 0.8645
616 I2M 0.8644
617 PEL 0.8641
618 1WD 0.8641
619 53C 0.8639
620 JKE 0.8638
621 64K 0.8637
622 3OC 0.8637
623 3AY 0.8635
624 271 0.8634
625 10L 0.8632
626 FBA 0.8632
627 TSZ 0.8631
628 FUL 0.8630
629 4JL 0.8626
630 1DJ 0.8626
631 ARB 0.8625
632 717 0.8625
633 ATO 0.8624
634 45C 0.8623
635 3XX 0.8622
636 0MK 0.8621
637 6UA 0.8617
638 CEE 0.8614
639 7WV 0.8608
640 FUC 0.8605
641 PEA 0.8603
642 F4Z 0.8603
643 9HX 0.8601
644 7HP 0.8601
645 FBM 0.8601
646 OVV 0.8598
647 YTB 0.8596
648 Z82 0.8591
649 ES6 0.8590
650 TC7 0.8583
651 2AS 0.8580
652 4JM 0.8580
653 WCE 0.8580
654 3SK 0.8577
655 1BP 0.8577
656 94N 0.8575
657 TAN 0.8566
658 9X6 0.8560
659 H76 0.8556
660 TH7 0.8549
661 CNH 0.8537
662 J3K 0.8535
663 ICN 0.8534
664 AZF 0.8531
665 BRT 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6AZQ; Ligand: C5J; 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: 6azq.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6AZQ; Ligand: C5J; 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: 6azq.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6AZQ; Ligand: C5J; 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: 6azq.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6AZQ; Ligand: C5J; 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: 6azq.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6AZQ; Ligand: C5J; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6azq.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6AZQ; Ligand: C5J; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6azq.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6AZQ; Ligand: C5J; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6azq.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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