Receptor
PDB id Resolution Class Description Source Keywords
3CL7 1.8 Å EC: 3.5.2.5 CRYSTAL STRUCTURE OF PUUE ALLANTOINASE IN COMPLEX WITH HYDANTOIN PSEUDOMONAS FLUORESCENS ALLANTOINASE URIC ACID DEGRADATION HYDANTOIN HYDROLASE
Ref.: LOGICAL IDENTIFICATION OF AN ALLANTOINASE ANALOG (PUUE) RECRUITED FROM POLYSACCHARIDE DEACETYLASES J.BIOL.CHEM. V. 283 23295 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HYN A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
100.076 C3 H4 N2 O2 C1C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CL7 1.8 Å EC: 3.5.2.5 CRYSTAL STRUCTURE OF PUUE ALLANTOINASE IN COMPLEX WITH HYDANTOIN PSEUDOMONAS FLUORESCENS ALLANTOINASE URIC ACID DEGRADATION HYDANTOIN HYDROLASE
Ref.: LOGICAL IDENTIFICATION OF AN ALLANTOINASE ANALOG (PUUE) RECRUITED FROM POLYSACCHARIDE DEACETYLASES J.BIOL.CHEM. V. 283 23295 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CL8 - 5AC C4 H6 N4 O c1[nH]c(c(....
2 3CL7 - HYN C3 H4 N2 O2 C1C(=O)NC(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HYN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HYN 1 1
2 BR8 0.52381 0.638298
3 DUC 0.44 0.755556
Similar Ligands (3D)
Ligand no: 1; Ligand: HYN; Similar ligands found: 576
No: Ligand Similarity coefficient
1 25T 1.0000
2 XIX 0.9992
3 24T 0.9967
4 CEJ 0.9940
5 DMG 0.9866
6 URA 0.9843
7 E60 0.9839
8 IPH 0.9831
9 RCO 0.9803
10 CRS 0.9801
11 7EX 0.9799
12 CYH 0.9798
13 LG3 0.9795
14 CYT 0.9793
15 A2Q 0.9788
16 V1L 0.9769
17 26D 0.9768
18 MBN 0.9764
19 C5J 0.9763
20 1DH 0.9761
21 3CH 0.9758
22 9PO 0.9749
23 CXL 0.9746
24 BVF 0.9740
25 GOL 0.9733
26 LG5 0.9730
27 8GF 0.9727
28 2AP 0.9723
29 MLI 0.9719
30 WOT 0.9716
31 HSL 0.9714
32 MLA 0.9708
33 MZ0 0.9708
34 HPY 0.9700
35 2IM 0.9692
36 HVK 0.9692
37 LGA 0.9692
38 HRZ 0.9682
39 284 0.9676
40 3AP 0.9671
41 HGQ 0.9670
42 3TR 0.9663
43 HOW 0.9657
44 2AI 0.9651
45 2MZ 0.9648
46 4AP 0.9645
47 BAQ 0.9643
48 4XX 0.9641
49 HAI 0.9641
50 3MT 0.9638
51 GXE 0.9626
52 4MZ 0.9621
53 GBL 0.9620
54 P2D 0.9620
55 285 0.9615
56 L60 0.9610
57 MR3 0.9609
58 3ZQ 0.9608
59 1MZ 0.9607
60 280 0.9606
61 2KT 0.9601
62 4JU 0.9599
63 MB3 0.9599
64 CIG 0.9599
65 B3R 0.9595
66 5MP 0.9590
67 DTI 0.9589
68 MMZ 0.9581
69 8CL 0.9578
70 1CB 0.9574
71 AMT 0.9567
72 HQE 0.9567
73 HEW 0.9562
74 H3M 0.9560
75 TMT 0.9559
76 4H2 0.9558
77 PCR 0.9555
78 LG4 0.9555
79 HHN 0.9554
80 PIH 0.9554
81 M3T 0.9550
82 KSW 0.9548
83 DMI 0.9547
84 5KX 0.9545
85 MLM 0.9544
86 DGY 0.9542
87 JZ6 0.9537
88 MZY 0.9536
89 25R 0.9534
90 TTO 0.9530
91 ES3 0.9526
92 MEU 0.9525
93 PXY 0.9525
94 PLQ 0.9522
95 93B 0.9520
96 282 0.9510
97 NVI 0.9502
98 CAQ 0.9502
99 40O 0.9501
100 3GR 0.9495
101 BYZ 0.9490
102 DA1 0.9488
103 FPN 0.9485
104 MMU 0.9481
105 L89 0.9479
106 2MH 0.9479
107 HGW 0.9478
108 3ZS 0.9475
109 SER 0.9471
110 TMZ 0.9471
111 OXL 0.9470
112 OHG 0.9469
113 IDH 0.9468
114 HIU 0.9467
115 OXM 0.9465
116 RSF 0.9462
117 BML 0.9455
118 4AX 0.9450
119 HHQ 0.9449
120 DSN 0.9438
121 4HS 0.9434
122 1AN 0.9433
123 DXX 0.9423
124 76X 0.9416
125 ATQ 0.9414
126 8LG 0.9414
127 SYN 0.9409
128 PYZ 0.9409
129 CYS 0.9406
130 HGY 0.9403
131 OXE 0.9393
132 PRO 0.9393
133 BVC 0.9390
134 BEW 0.9388
135 ABN 0.9387
136 92Z 0.9387
137 4JN 0.9386
138 B20 0.9382
139 APY 0.9382
140 PYR 0.9380
141 4CH 0.9377
142 BNZ 0.9376
143 2OP 0.9375
144 3PY 0.9369
145 0PY 0.9363
146 FP2 0.9362
147 AMC 0.9360
148 JZ0 0.9358
149 93Q 0.9357
150 FPI 0.9354
151 MZW 0.9353
152 J1Z 0.9349
153 BVG 0.9344
154 P1R 0.9339
155 HBX 0.9337
156 938 0.9336
157 LAC 0.9334
158 ECE 0.9328
159 KG7 0.9325
160 PHZ 0.9324
161 3OH 0.9320
162 DAL 0.9320
163 ABA 0.9319
164 2AF 0.9312
165 6SP 0.9312
166 SAR 0.9309
167 ALA 0.9306
168 HVQ 0.9305
169 MAK 0.9299
170 OXD 0.9299
171 GLV 0.9298
172 FOA 0.9296
173 2HA 0.9284
174 AKR 0.9279
175 FW5 0.9273
176 IOL 0.9269
177 23W 0.9269
178 PYM 0.9264
179 3MC 0.9260
180 PY7 0.9260
181 2CH 0.9258
182 PYC 0.9257
183 6X8 0.9256
184 BP9 0.9253
185 HTS 0.9248
186 47J 0.9247
187 MBD 0.9242
188 PYF 0.9237
189 DTL 0.9233
190 ICC 0.9231
191 PYJ 0.9230
192 3FA 0.9229
193 GOA 0.9229
194 NBE 0.9226
195 GXV 0.9226
196 2DR 0.9225
197 FAH 0.9225
198 GMN 0.9225
199 PYG 0.9225
200 FFP 0.9223
201 WBU 0.9223
202 VAL 0.9222
203 2C9 0.9220
204 278 0.9220
205 URF 0.9220
206 1AC 0.9215
207 HAE 0.9212
208 FLM 0.9210
209 1MR 0.9209
210 03W 0.9209
211 6MH 0.9207
212 2MY 0.9207
213 BAL 0.9202
214 2EZ 0.9200
215 FPY 0.9195
216 M2H 0.9192
217 KIV 0.9190
218 1MC 0.9186
219 GLY 0.9182
220 A1U 0.9181
221 PYD 0.9177
222 ICP 0.9177
223 NHY 0.9177
224 GVH 0.9175
225 B24 0.9173
226 PUT 0.9172
227 2CM 0.9170
228 NAK 0.9170
229 TDR 0.9167
230 0R1 0.9164
231 3CE 0.9163
232 AAE 0.9160
233 A3B 0.9157
234 0CT 0.9156
235 F3V 0.9155
236 3MH 0.9153
237 AHR 0.9153
238 NK 0.9149
239 MPI 0.9147
240 265 0.9145
241 9X7 0.9145
242 PPI 0.9143
243 BZI 0.9141
244 273 0.9139
245 BZF 0.9138
246 1DU 0.9138
247 PCA 0.9136
248 LZ1 0.9134
249 IND 0.9133
250 NMU 0.9132
251 YAN 0.9131
252 TFB 0.9131
253 HY3 0.9128
254 2PC 0.9127
255 TP5 0.9126
256 XYD 0.9125
257 MGX 0.9125
258 5UC 0.9124
259 NIE 0.9123
260 DUB 0.9120
261 TM4 0.9116
262 BUO 0.9114
263 4JP 0.9113
264 NIS 0.9111
265 XYP 0.9110
266 DEN 0.9108
267 JBN 0.9107
268 THR 0.9106
269 RP7 0.9105
270 TZC 0.9105
271 6UA 0.9104
272 BUA 0.9103
273 4ZE 0.9101
274 DBB 0.9100
275 JZ3 0.9100
276 9CL 0.9099
277 SMB 0.9097
278 4HO 0.9094
279 QOS 0.9093
280 TH0 0.9091
281 MCT 0.9090
282 C2A 0.9089
283 PRI 0.9084
284 F50 0.9082
285 BR9 0.9079
286 1PT 0.9079
287 CHT 0.9078
288 2RA 0.9076
289 CP 0.9075
290 MWM 0.9073
291 D2P 0.9071
292 2MP 0.9070
293 EGD 0.9070
294 TM7 0.9070
295 2AC 0.9069
296 LDU 0.9069
297 TSZ 0.9067
298 61G 0.9065
299 27Y 0.9065
300 XBZ 0.9063
301 34A 0.9062
302 C2N 0.9062
303 YHO 0.9061
304 PAE 0.9059
305 WDL 0.9058
306 OXQ 0.9058
307 AGU 0.9057
308 HUI 0.9057
309 5MH 0.9055
310 275 0.9055
311 IHG 0.9054
312 R8A 0.9053
313 JZ2 0.9050
314 4JO 0.9049
315 MLT 0.9043
316 4CL 0.9043
317 DCY 0.9041
318 XYS 0.9040
319 0R0 0.9035
320 DE2 0.9035
321 4JJ 0.9034
322 192 0.9032
323 5AC 0.9031
324 1XX 0.9030
325 AX2 0.9026
326 BUQ 0.9025
327 94N 0.9023
328 5ZE 0.9022
329 2A1 0.9021
330 43M 0.9018
331 MWJ 0.9018
332 MAE 0.9016
333 C21 0.9015
334 3AY 0.9015
335 MZG 0.9014
336 4JL 0.9012
337 HVB 0.9011
338 IUR 0.9011
339 JZ5 0.9008
340 IDM 0.9006
341 ALO 0.9005
342 HT4 0.9003
343 LXC 0.8987
344 HBA 0.8985
345 HSE 0.8985
346 2YU 0.8976
347 GAG 0.8975
348 2ZX 0.8972
349 4VP 0.8970
350 ETF 0.8970
351 BMD 0.8967
352 OAA 0.8964
353 9YL 0.8963
354 5JC 0.8959
355 JAB 0.8956
356 DTU 0.8956
357 5Y9 0.8955
358 BU4 0.8954
359 13X 0.8951
360 BEZ 0.8950
361 286 0.8950
362 HYP 0.8949
363 BEN 0.8945
364 LER 0.8941
365 PZO 0.8940
366 R3W 0.8937
367 39J 0.8934
368 GBD 0.8932
369 5AN 0.8926
370 BAM 0.8925
371 TLD 0.8923
372 ATO 0.8922
373 NIO 0.8921
374 1AB 0.8920
375 R2B 0.8912
376 ALQ 0.8909
377 IVA 0.8906
378 14J 0.8901
379 PXO 0.8901
380 TRI 0.8899
381 IMD 0.8898
382 UY7 0.8898
383 DFB 0.8896
384 7WG 0.8895
385 YCP 0.8891
386 NCM 0.8890
387 JZ9 0.8890
388 JZ1 0.8890
389 MRY 0.8889
390 60P 0.8887
391 NBZ 0.8884
392 Y8I 0.8883
393 AKB 0.8881
394 BRP 0.8880
395 FYU 0.8876
396 9TY 0.8876
397 VGL 0.8875
398 ERH 0.8874
399 PZA 0.8873
400 SSN 0.8872
401 HUH 0.8870
402 SMV 0.8868
403 C2B 0.8868
404 NCA 0.8867
405 6PC 0.8862
406 NTN 0.8861
407 SIN 0.8860
408 4DX 0.8858
409 RIB 0.8858
410 EDG 0.8856
411 51F 0.8856
412 3HL 0.8855
413 MTG 0.8842
414 HSM 0.8841
415 1SP 0.8839
416 FBA 0.8838
417 SLP 0.8837
418 TCV 0.8836
419 CRN 0.8835
420 BZX 0.8833
421 FLA 0.8833
422 2K4 0.8830
423 T2C 0.8830
424 BAE 0.8829
425 PHB 0.8828
426 1BP 0.8821
427 AOA 0.8817
428 NXA 0.8817
429 DAB 0.8813
430 ITN 0.8813
431 5H1 0.8810
432 4SD 0.8810
433 HDA 0.8808
434 IQ0 0.8807
435 RIP 0.8806
436 H8N 0.8804
437 M58 0.8802
438 5MI 0.8801
439 LMR 0.8801
440 HPA 0.8801
441 3XX 0.8800
442 ITU 0.8799
443 6AI 0.8799
444 YTB 0.8797
445 ASP 0.8795
446 OXZ 0.8795
447 TCZ 0.8793
448 5MB 0.8793
449 DPR 0.8793
450 69O 0.8793
451 FUC 0.8792
452 R1X 0.8792
453 O7U 0.8791
454 CIZ 0.8790
455 IT2 0.8789
456 ARB 0.8788
457 PRS 0.8787
458 HV2 0.8787
459 AZF 0.8784
460 SGL 0.8783
461 3HR 0.8780
462 HCS 0.8779
463 ADE 0.8776
464 QSC 0.8775
465 0MK 0.8774
466 F60 0.8773
467 ES9 0.8773
468 UNU 0.8771
469 IFM 0.8768
470 14O 0.8768
471 F81 0.8767
472 R8S 0.8766
473 23A 0.8765
474 J3K 0.8761
475 IMR 0.8760
476 7HP 0.8758
477 AGK 0.8757
478 BTL 0.8757
479 0TR 0.8756
480 6HQ 0.8751
481 HMH 0.8749
482 FJO 0.8749
483 HLT 0.8747
484 1DQ 0.8746
485 NEQ 0.8744
486 7CZ 0.8743
487 4JM 0.8741
488 1DW 0.8741
489 9A4 0.8740
490 P3K 0.8739
491 ZZT 0.8739
492 HLR 0.8733
493 11S 0.8731
494 HBS 0.8730
495 24B 0.8729
496 BXA 0.8729
497 H4N 0.8726
498 8GC 0.8725
499 270 0.8724
500 TF4 0.8724
501 XAP 0.8723
502 9HX 0.8720
503 9EW 0.8718
504 ETM 0.8717
505 FK1 0.8716
506 ICN 0.8715
507 SAL 0.8714
508 TAY 0.8712
509 JBE 0.8708
510 PBC 0.8706
511 F05 0.8704
512 H76 0.8703
513 HBR 0.8700
514 FUL 0.8700
515 CSS 0.8699
516 PBE 0.8697
517 HMU 0.8696
518 ASN 0.8694
519 40E 0.8693
520 9DA 0.8692
521 TB6 0.8692
522 SS1 0.8688
523 BUB 0.8687
524 8H8 0.8682
525 CP2 0.8681
526 8NY 0.8680
527 ES4 0.8679
528 ARA 0.8675
529 SS2 0.8672
530 3Z7 0.8671
531 NVA 0.8669
532 GIF 0.8667
533 0RW 0.8667
534 2MI 0.8662
535 SVN 0.8662
536 P92 0.8661
537 BE2 0.8661
538 2HE 0.8659
539 XRG 0.8657
540 PM6 0.8649
541 UGC 0.8646
542 4SV 0.8646
543 AX7 0.8645
544 JAE 0.8644
545 Z6J 0.8643
546 4ZC 0.8639
547 AC0 0.8639
548 3U4 0.8638
549 3HB 0.8633
550 ZZ3 0.8620
551 10L 0.8618
552 BTE 0.8615
553 ES6 0.8613
554 FUM 0.8611
555 DFU 0.8610
556 FQI 0.8608
557 7WA 0.8605
558 6M9 0.8589
559 TMH 0.8588
560 3SK 0.8585
561 NSP 0.8582
562 GAB 0.8571
563 IP0 0.8569
564 1WD 0.8568
565 ABU 0.8567
566 3NT 0.8567
567 JIF 0.8567
568 3AB 0.8566
569 150 0.8566
570 VNJ 0.8554
571 SWD 0.8553
572 FUF 0.8550
573 DYA 0.8544
574 PAV 0.8540
575 2XX 0.8530
576 53C 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3CL7; Ligand: HYN; 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: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3CL7; Ligand: HYN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3cl7.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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