Receptor
PDB id Resolution Class Description Source Keywords
5HY1 2.01 Å EC: 3.5.2.1 HIGH RESOLUTION STRUCTURE OF BARBITURASE RHODOCOCCUS ERYTHROPOLIS TOBLERONE FOLD PYRIMIDINE CATABOLISM HYDROLASE
Ref.: HIGH-RESOLUTION X-RAY STRUCTURES OF TWO FUNCTIONALL DISTINCT MEMBERS OF THE CYCLIC AMIDE HYDROLASE FAMI TOBLERONE FOLD ENZYMES. APPL. ENVIRON. MICROBIOL. V. 83 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
WDL A:401;
 Valid;
 none;
 submit data
129.074 C3 H3 N3 O3 c1(nc...
CL A:403;
A:405;
A:404;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
35.453 Cl [Cl-]
NA A:402;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HY1 2.01 Å EC: 3.5.2.1 HIGH RESOLUTION STRUCTURE OF BARBITURASE RHODOCOCCUS ERYTHROPOLIS TOBLERONE FOLD PYRIMIDINE CATABOLISM HYDROLASE
Ref.: HIGH-RESOLUTION X-RAY STRUCTURES OF TWO FUNCTIONALL DISTINCT MEMBERS OF THE CYCLIC AMIDE HYDROLASE FAMI TOBLERONE FOLD ENZYMES. APPL. ENVIRON. MICROBIOL. V. 83 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5HY1 - WDL C3 H3 N3 O3 c1(nc(nc(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5HY1 - WDL C3 H3 N3 O3 c1(nc(nc(n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6BUR - BR8 C4 H4 N2 O3 C1C(=O)NC(....
2 6BUM - MLI C3 H2 O4 C(C(=O)[O-....
3 6BUN - MLI C3 H2 O4 C(C(=O)[O-....
4 6BUQ - BR8 C4 H4 N2 O3 C1C(=O)NC(....
5 6BUP - WDL C3 H3 N3 O3 c1(nc(nc(n....
6 6CWJ - 6JN C5 H6 O5 C(C(=O)CC(....
7 6BUO - MLI C3 H2 O4 C(C(=O)[O-....
8 5HY1 - WDL C3 H3 N3 O3 c1(nc(nc(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: WDL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 WDL 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: WDL; Similar ligands found: 645
No: Ligand Similarity coefficient
1 6UA 1.0000
2 BR8 1.0000
3 13X 1.0000
4 5AN 1.0000
5 AX2 1.0000
6 3AY 1.0000
7 5ZE 0.9991
8 ERH 0.9972
9 2ZX 0.9967
10 TCZ 0.9789
11 CRS 0.9757
12 URA 0.9752
13 RCO 0.9738
14 26D 0.9736
15 LG3 0.9726
16 CYT 0.9710
17 LG5 0.9701
18 2DR 0.9698
19 284 0.9694
20 8GF 0.9685
21 S76 0.9684
22 DUC 0.9682
23 3CH 0.9659
24 JIF 0.9633
25 BVF 0.9618
26 CIG 0.9574
27 AUD 0.9562
28 2A7 0.9560
29 IDH 0.9540
30 7MH 0.9537
31 PYG 0.9533
32 JFD 0.9523
33 XYP 0.9522
34 T6C 0.9517
35 35C 0.9514
36 ZZ3 0.9496
37 B3R 0.9493
38 HGQ 0.9487
39 3FA 0.9486
40 4H2 0.9482
41 47J 0.9479
42 HPA 0.9478
43 DUB 0.9477
44 M3T 0.9474
45 HEW 0.9470
46 ADE 0.9470
47 25W 0.9462
48 MBD 0.9455
49 9HX 0.9454
50 3MC 0.9454
51 HPY 0.9448
52 2CM 0.9448
53 7HP 0.9443
54 BTE 0.9435
55 9DA 0.9435
56 2MY 0.9435
57 285 0.9434
58 2C9 0.9431
59 G6D 0.9427
60 12M 0.9418
61 6MH 0.9418
62 TBP 0.9413
63 URF 0.9413
64 FFP 0.9409
65 GUN 0.9408
66 GMN 0.9407
67 6MP 0.9396
68 RSF 0.9395
69 JZ3 0.9391
70 FUL 0.9388
71 CYH 0.9387
72 7WA 0.9387
73 3ZQ 0.9385
74 HHQ 0.9384
75 FLM 0.9383
76 CXL 0.9383
77 PM6 0.9380
78 ES4 0.9373
79 10L 0.9366
80 3CE 0.9361
81 GIO 0.9354
82 TM4 0.9350
83 3MA 0.9346
84 H3M 0.9342
85 BP1 0.9339
86 76X 0.9337
87 9DG 0.9331
88 ADK 0.9331
89 XAN 0.9328
90 40O 0.9327
91 WBU 0.9324
92 A1U 0.9319
93 141 0.9318
94 R8A 0.9317
95 A2F 0.9313
96 AZA 0.9313
97 MCT 0.9309
98 ICP 0.9308
99 XXR 0.9298
100 92Z 0.9296
101 1MC 0.9295
102 8LG 0.9293
103 23A 0.9292
104 LXC 0.9292
105 4ZE 0.9291
106 CAQ 0.9291
107 FP2 0.9291
108 IGA 0.9290
109 HAI 0.9286
110 XYD 0.9285
111 6AP 0.9284
112 MWM 0.9280
113 XYS 0.9280
114 L89 0.9275
115 4HO 0.9272
116 TDR 0.9270
117 PYD 0.9269
118 AHR 0.9267
119 94N 0.9266
120 SWD 0.9264
121 DX4 0.9263
122 2AC 0.9263
123 XBZ 0.9262
124 290 0.9261
125 3MH 0.9260
126 V1L 0.9257
127 AZG 0.9253
128 F5B 0.9246
129 280 0.9246
130 TM7 0.9245
131 MZG 0.9243
132 2AF 0.9243
133 1AN 0.9243
134 BOA 0.9240
135 1XM 0.9240
136 2MP 0.9237
137 34A 0.9232
138 CFP 0.9225
139 ORO 0.9224
140 IPH 0.9220
141 5UC 0.9219
142 4JJ 0.9218
143 275 0.9218
144 MFB 0.9217
145 BR9 0.9215
146 93Q 0.9214
147 6GU 0.9213
148 JZ0 0.9211
149 4JO 0.9211
150 HSL 0.9209
151 HT4 0.9206
152 M2H 0.9205
153 YH7 0.9204
154 1XN 0.9204
155 TH0 0.9201
156 286 0.9200
157 2YU 0.9200
158 KSW 0.9200
159 43M 0.9198
160 4CL 0.9198
161 DFB 0.9197
162 DMI 0.9197
163 JZ2 0.9195
164 G3F 0.9192
165 FCB 0.9191
166 282 0.9190
167 938 0.9190
168 NK 0.9189
169 MB3 0.9189
170 OXE 0.9186
171 FUC 0.9185
172 3Z7 0.9185
173 5MH 0.9183
174 RM4 0.9179
175 IPZ 0.9179
176 MMZ 0.9178
177 A2Q 0.9174
178 278 0.9174
179 3AP 0.9172
180 MWJ 0.9170
181 P3K 0.9169
182 5JC 0.9168
183 9PO 0.9164
184 HRZ 0.9163
185 0CU 0.9163
186 DTI 0.9161
187 II6 0.9161
188 ICC 0.9158
189 7EX 0.9154
190 GBD 0.9153
191 SAL 0.9151
192 RNS 0.9147
193 LGA 0.9147
194 4AP 0.9146
195 BCP 0.9146
196 HVK 0.9146
197 MBN 0.9146
198 HY3 0.9146
199 WOT 0.9140
200 HH5 0.9139
201 2AP 0.9139
202 IFM 0.9138
203 IUR 0.9137
204 BEW 0.9137
205 OXC 0.9137
206 2CH 0.9136
207 2IM 0.9135
208 FPI 0.9134
209 OXQ 0.9134
210 27Y 0.9134
211 GAG 0.9131
212 8S0 0.9130
213 1XX 0.9130
214 C2A 0.9129
215 FUF 0.9118
216 EXO 0.9118
217 DOR 0.9117
218 5AC 0.9116
219 NMJ 0.9116
220 GLC 0.9114
221 JBE 0.9114
222 HTS 0.9114
223 DGY 0.9109
224 TLD 0.9105
225 BGC 0.9105
226 Y8I 0.9104
227 RP7 0.9102
228 R8S 0.9101
229 RIB 0.9100
230 FPK 0.9100
231 GCS 0.9100
232 0MK 0.9099
233 RIP 0.9091
234 D1X 0.9088
235 64K 0.9083
236 ECE 0.9082
237 6X8 0.9080
238 ARB 0.9080
239 0R0 0.9076
240 QOS 0.9076
241 MLT 0.9072
242 DXX 0.9065
243 KIA 0.9062
244 8CL 0.9060
245 HYN 0.9058
246 NEQ 0.9058
247 AMC 0.9057
248 GVH 0.9057
249 H76 0.9055
250 ARA 0.9053
251 Q88 0.9052
252 O7U 0.9052
253 34D 0.9050
254 4AX 0.9050
255 L60 0.9050
256 KYD 0.9049
257 HHN 0.9046
258 GXE 0.9042
259 ABN 0.9042
260 BE2 0.9041
261 3U4 0.9038
262 ES6 0.9037
263 F81 0.9035
264 4SV 0.9035
265 YAN 0.9031
266 FYU 0.9029
267 BZI 0.9028
268 OXZ 0.9028
269 4XR 0.9028
270 ISE 0.9028
271 4ZC 0.9026
272 AZF 0.9026
273 SYN 0.9024
274 24T 0.9020
275 1WD 0.9019
276 GAL 0.9019
277 HBX 0.9014
278 3XX 0.9014
279 SEJ 0.9014
280 0CT 0.9008
281 9TY 0.9008
282 60P 0.9007
283 INS 0.9005
284 4JP 0.9001
285 FPY 0.9000
286 TTO 0.8999
287 IND 0.8998
288 DEN 0.8998
289 ES0 0.8997
290 SVN 0.8997
291 L3Q 0.8997
292 APY 0.8996
293 JZ1 0.8995
294 4XX 0.8994
295 23W 0.8991
296 CWM 0.8990
297 93B 0.8990
298 MPI 0.8986
299 FCA 0.8986
300 XQG 0.8986
301 8GC 0.8985
302 0R1 0.8983
303 NBE 0.8981
304 PIH 0.8980
305 TMT 0.8976
306 CEJ 0.8976
307 9EW 0.8975
308 AW5 0.8972
309 1MR 0.8971
310 2FG 0.8969
311 F05 0.8964
312 DIE 0.8962
313 5Q0 0.8962
314 PYF 0.8962
315 JKE 0.8961
316 HGW 0.8960
317 BMA 0.8959
318 BZF 0.8958
319 NTM 0.8954
320 0TR 0.8953
321 7NI 0.8948
322 5RG 0.8947
323 URQ 0.8946
324 5CL 0.8945
325 SER 0.8943
326 AS3 0.8941
327 M1E 0.8938
328 DFU 0.8938
329 RAM 0.8938
330 LZ1 0.8937
331 7CZ 0.8932
332 4CS 0.8931
333 HJP 0.8931
334 HQY 0.8931
335 261 0.8929
336 G4D 0.8929
337 UNC 0.8928
338 6HQ 0.8926
339 PHT 0.8926
340 7WV 0.8925
341 N5J 0.8923
342 ASP 0.8922
343 O72 0.8920
344 1NP 0.8919
345 TMZ 0.8919
346 GLA 0.8919
347 NOJ 0.8919
348 YHO 0.8918
349 5SG 0.8917
350 5IQ 0.8917
351 KIB 0.8917
352 4YS 0.8916
353 DPF 0.8913
354 GAB 0.8912
355 149 0.8911
356 24W 0.8909
357 IJZ 0.8908
358 ES1 0.8906
359 HLR 0.8905
360 E60 0.8904
361 IP0 0.8902
362 3NT 0.8902
363 JPZ 0.8902
364 JBH 0.8902
365 PY7 0.8901
366 C2U 0.8900
367 4PW 0.8897
368 HMH 0.8897
369 7HQ 0.8895
370 YTB 0.8894
371 1LM 0.8892
372 VNJ 0.8892
373 GIF 0.8890
374 EV0 0.8889
375 AGK 0.8889
376 3F0 0.8888
377 HMU 0.8886
378 9MG 0.8885
379 ZZT 0.8884
380 HFB 0.8884
381 1LQ 0.8883
382 IDM 0.8882
383 BBF 0.8882
384 5M0 0.8878
385 B53 0.8874
386 6CS 0.8869
387 I3A 0.8866
388 B55 0.8866
389 150 0.8864
390 BCF 0.8864
391 EQT 0.8863
392 8IG 0.8862
393 XIX 0.8861
394 M1A 0.8860
395 1SQ 0.8860
396 MT0 0.8858
397 39A 0.8856
398 GIV 0.8856
399 N7P 0.8855
400 IBF 0.8854
401 PAF 0.8852
402 HH8 0.8851
403 JZ9 0.8850
404 9TZ 0.8849
405 51F 0.8849
406 3M0 0.8849
407 1DW 0.8848
408 N8P 0.8847
409 ITN 0.8847
410 MSN 0.8847
411 3SK 0.8842
412 FOT 0.8842
413 5HN 0.8841
414 GYE 0.8840
415 3RK 0.8839
416 3HB 0.8839
417 CYS 0.8836
418 B24 0.8836
419 MAN 0.8835
420 3AB 0.8834
421 PYJ 0.8830
422 2H5 0.8828
423 4XH 0.8827
424 ADZ 0.8825
425 ZWZ 0.8824
426 LGC 0.8820
427 5WX 0.8820
428 CIZ 0.8820
429 DHK 0.8819
430 260 0.8818
431 1GN 0.8818
432 TFU 0.8818
433 F3B 0.8817
434 M1Q 0.8815
435 F0J 0.8814
436 2XX 0.8812
437 7B4 0.8809
438 67N 0.8808
439 HZQ 0.8808
440 MFU 0.8808
441 JBK 0.8807
442 HQE 0.8804
443 3HA 0.8803
444 BEN 0.8803
445 PCR 0.8802
446 9CL 0.8801
447 25T 0.8800
448 LG4 0.8800
449 45C 0.8797
450 KLW 0.8797
451 6M4 0.8797
452 SHG 0.8796
453 42C 0.8796
454 BZX 0.8796
455 AKH 0.8796
456 PLQ 0.8794
457 Q6T 0.8792
458 2ZV 0.8792
459 MEV 0.8792
460 1WG 0.8790
461 KBG 0.8790
462 25R 0.8789
463 FP1 0.8789
464 53C 0.8788
465 6AI 0.8788
466 0RW 0.8788
467 DA1 0.8787
468 2D0 0.8786
469 32O 0.8785
470 HIU 0.8785
471 GTQ 0.8783
472 NCA 0.8779
473 B2J 0.8777
474 OEM 0.8774
475 WCE 0.8774
476 BEZ 0.8773
477 495 0.8772
478 PXL 0.8770
479 URC 0.8770
480 VAL 0.8769
481 V55 0.8768
482 YIO 0.8768
483 4JU 0.8768
484 ABE 0.8765
485 OVV 0.8765
486 54G 0.8765
487 5MK 0.8763
488 LMR 0.8763
489 NBZ 0.8763
490 4HS 0.8762
491 F4Z 0.8760
492 4JN 0.8760
493 GRE 0.8760
494 MBG 0.8759
495 270 0.8759
496 8TX 0.8757
497 HX3 0.8755
498 J1Z 0.8753
499 PZA 0.8752
500 PCI 0.8752
501 6F0 0.8751
502 PFB 0.8751
503 UEG 0.8750
504 RUU 0.8750
505 FPN 0.8750
506 DBH 0.8750
507 42A 0.8748
508 YCP 0.8747
509 9X7 0.8747
510 1P3 0.8746
511 PXY 0.8746
512 2CQ 0.8744
513 TC7 0.8742
514 CRN 0.8741
515 KOJ 0.8741
516 LSA 0.8741
517 6LW 0.8740
518 BRT 0.8738
519 BTY 0.8736
520 R2B 0.8733
521 MAK 0.8732
522 2KT 0.8732
523 NIO 0.8730
524 4CH 0.8730
525 LRH 0.8730
526 KPL 0.8730
527 3BZ 0.8726
528 DQN 0.8725
529 2AL 0.8723
530 2RA 0.8722
531 5NU 0.8721
532 DMG 0.8719
533 SX1 0.8718
534 TMH 0.8718
535 HLZ 0.8716
536 PE0 0.8713
537 KIV 0.8712
538 X6X 0.8711
539 DSN 0.8710
540 MZ0 0.8710
541 LZM 0.8709
542 MZW 0.8708
543 Q24 0.8707
544 SF9 0.8706
545 3DM 0.8706
546 A3B 0.8706
547 12B 0.8705
548 NVI 0.8705
549 G2F 0.8702
550 ALO 0.8702
551 DAB 0.8702
552 BML 0.8701
553 24B 0.8700
554 5JL 0.8692
555 FDB 0.8691
556 DRL 0.8690
557 HSE 0.8688
558 IOL 0.8686
559 6PC 0.8686
560 6M9 0.8685
561 GDE 0.8682
562 THR 0.8682
563 BAM 0.8681
564 5MB 0.8680
565 FUB 0.8678
566 ES9 0.8677
567 I1N 0.8676
568 DTL 0.8676
569 TZE 0.8675
570 AZ8 0.8674
571 MO8 0.8674
572 BVC 0.8671
573 H4N 0.8670
574 2K4 0.8670
575 PBE 0.8667
576 GOO 0.8665
577 DIU 0.8664
578 EDG 0.8663
579 VGL 0.8661
580 YSO 0.8661
581 HHA 0.8660
582 QX2 0.8660
583 5H1 0.8660
584 4M4 0.8657
585 GAF 0.8655
586 QWW 0.8653
587 75K 0.8650
588 14O 0.8650
589 AX7 0.8650
590 5MI 0.8644
591 5JQ 0.8644
592 FRU 0.8644
593 329 0.8642
594 4HM 0.8642
595 MLI 0.8642
596 11S 0.8641
597 7VS 0.8634
598 M6N 0.8628
599 FK1 0.8627
600 4HC 0.8627
601 P92 0.8627
602 F60 0.8624
603 GXL 0.8623
604 6M1 0.8620
605 DBJ 0.8616
606 MEW 0.8614
607 G5V 0.8609
608 MLA 0.8609
609 M5K 0.8608
610 1AB 0.8607
611 D07 0.8607
612 KG7 0.8606
613 OAA 0.8606
614 FW5 0.8604
615 QPR 0.8603
616 82I 0.8603
617 HBA 0.8602
618 2MI 0.8601
619 UNU 0.8601
620 J9W 0.8594
621 AQO 0.8593
622 7VJ 0.8592
623 HUI 0.8589
624 AMT 0.8585
625 AJ2 0.8580
626 EUG 0.8579
627 8NY 0.8576
628 DGJ 0.8576
629 QUZ 0.8572
630 NPY 0.8572
631 4XV 0.8568
632 M0Q 0.8562
633 ASO 0.8560
634 5CU 0.8556
635 TH7 0.8551
636 QSC 0.8550
637 7W4 0.8550
638 M0W 0.8549
639 SS2 0.8548
640 8WT 0.8542
641 0PY 0.8541
642 3MT 0.8535
643 JBQ 0.8534
644 BNZ 0.8531
645 3TR 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HY1; Ligand: WDL; 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: 5hy1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5HY1; Ligand: WDL; 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: 5hy1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5HY1; Ligand: WDL; 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: 5hy1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5HY1; Ligand: WDL; 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: 5hy1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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