Receptor
PDB id Resolution Class Description Source Keywords
4PXB 1.9 Å EC: 3.5.3.19 THE CRYSTAL STRUCTURE OF ATUAH IN COMPLEX WITH (S)-UREIDOGLY ARABIDOPSIS THALIANA AMIDASE HYDANTOINASE CARBAMOYLASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY (S)-UREIDOGLYCOLATE AMIDOHYDROLASE AND ITS COMPARIS ALLANTOATE AMIDOHYDROLASE J.MOL.BIOL. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
B:502;
A:502;
B:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
UGC A:503;
B:503;
 Valid;
Valid;
 none;
none;
 submit data
134.091 C3 H6 N2 O4 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PXE 1.45 Å EC: 3.5.3.19 THE CRYSTAL STRUCTURE OF ATUAH IN COMPLEX WITH GLYOXYLATE ARABIDOPSIS THALIANA AMIDASE HYDANTOINASE CARBARMOYLASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY (S)-UREIDOGLYCOLATE AMIDOHYDROLASE AND ITS COMPARIS ALLANTOATE AMIDOHYDROLASE J.MOL.BIOL. 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UGC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 UGC 1 1
2 CDV 0.518519 0.705882
3 NCD 0.433333 0.72973
4 HGY 0.409091 0.666667
5 URQ 0.4 0.648649
Similar Ligands (3D)
Ligand no: 1; Ligand: UGC; Similar ligands found: 655
No: Ligand Similarity coefficient
1 MLT 1.0000
2 OAA 1.0000
3 DYA 0.9971
4 LMR 0.9932
5 CMS 0.9914
6 IOM 0.9894
7 CRN 0.9894
8 ASP 0.9798
9 DAS 0.9786
10 ASN 0.9786
11 BEN 0.9771
12 COI 0.9764
13 NCA 0.9755
14 6PC 0.9752
15 SIN 0.9747
16 ITN 0.9735
17 BEZ 0.9725
18 NTN 0.9717
19 BAM 0.9711
20 PBC 0.9690
21 FUM 0.9679
22 HX2 0.9673
23 NXA 0.9668
24 GUA 0.9651
25 YCP 0.9642
26 NIO 0.9639
27 4CS 0.9631
28 AC0 0.9625
29 8GC 0.9610
30 PCA 0.9605
31 UNU 0.9603
32 VGL 0.9603
33 PHB 0.9588
34 AKG 0.9586
35 SS1 0.9582
36 ISZ 0.9580
37 ILE 0.9576
38 AC5 0.9570
39 C21 0.9565
40 NPO 0.9562
41 PRO 0.9557
42 FOA 0.9556
43 PZA 0.9555
44 CFI 0.9554
45 LEU 0.9551
46 TP5 0.9548
47 NBZ 0.9545
48 3AB 0.9541
49 NMG 0.9539
50 3HB 0.9531
51 HBD 0.9530
52 53C 0.9521
53 GAB 0.9511
54 TEO 0.9511
55 TPA 0.9510
56 98J 0.9506
57 1Y6 0.9506
58 HDA 0.9499
59 PZI 0.9498
60 PAB 0.9493
61 2RH 0.9492
62 SHF 0.9491
63 9X7 0.9488
64 4MV 0.9488
65 RSO 0.9487
66 3NT 0.9485
67 HSE 0.9478
68 5HN 0.9473
69 HL5 0.9469
70 XBT 0.9468
71 TZC 0.9465
72 AL0 0.9462
73 F9P 0.9461
74 BHO 0.9460
75 69O 0.9440
76 PEP 0.9440
77 OVV 0.9439
78 NIZ 0.9436
79 PBZ 0.9430
80 3SL 0.9429
81 273 0.9428
82 TIU 0.9423
83 PG3 0.9423
84 JZ7 0.9415
85 MAE 0.9415
86 SAL 0.9415
87 IT2 0.9415
88 5H1 0.9411
89 VAH 0.9411
90 F60 0.9407
91 14J 0.9404
92 6AI 0.9403
93 14O 0.9401
94 PYC 0.9401
95 H95 0.9398
96 JBN 0.9395
97 BE2 0.9395
98 192 0.9392
99 FAN 0.9391
100 4MA 0.9391
101 ZBT 0.9388
102 FBM 0.9385
103 EHM 0.9385
104 51F 0.9383
105 826 0.9383
106 HY3 0.9381
107 BZX 0.9381
108 R2B 0.9380
109 SC2 0.9379
110 THR 0.9379
111 4NC 0.9379
112 5OB 0.9376
113 JZ5 0.9376
114 4SV 0.9376
115 2PC 0.9373
116 SPV 0.9370
117 AC6 0.9370
118 ICF 0.9369
119 VAL 0.9365
120 5MB 0.9363
121 OKG 0.9362
122 2K4 0.9361
123 THE 0.9361
124 ORN 0.9360
125 173 0.9360
126 P72 0.9358
127 SMV 0.9354
128 QSC 0.9350
129 NVA 0.9350
130 NNO 0.9349
131 XYL 0.9345
132 RB5 0.9345
133 3OC 0.9343
134 TAR 0.9341
135 DHB 0.9340
136 9YL 0.9339
137 R67 0.9334
138 FQI 0.9334
139 AMC 0.9333
140 1DU 0.9332
141 OK7 0.9331
142 5MI 0.9330
143 NLE 0.9328
144 ALO 0.9319
145 IHG 0.9317
146 ES9 0.9317
147 AKB 0.9315
148 PPR 0.9314
149 11S 0.9313
150 HBA 0.9310
151 PHU 0.9308
152 CXF 0.9306
153 MET 0.9306
154 ABV 0.9305
155 PYF 0.9305
156 QDK 0.9305
157 MRZ 0.9302
158 23W 0.9298
159 R1X 0.9296
160 ES6 0.9296
161 K34 0.9294
162 PEQ 0.9292
163 XM0 0.9288
164 HBX 0.9288
165 GZ3 0.9282
166 SNE 0.9278
167 JKE 0.9275
168 PEA 0.9272
169 7WV 0.9267
170 HCS 0.9267
171 2TQ 0.9266
172 60P 0.9262
173 JAB 0.9262
174 DEN 0.9261
175 NMJ 0.9260
176 VKC 0.9255
177 JYD 0.9254
178 IMR 0.9254
179 1AB 0.9253
180 1P3 0.9253
181 TLA 0.9251
182 QFH 0.9249
183 DTL 0.9247
184 TZE 0.9246
185 FPI 0.9244
186 M58 0.9243
187 AX7 0.9242
188 HIS 0.9241
189 OXQ 0.9240
190 AHB 0.9240
191 TFB 0.9238
192 3U4 0.9234
193 SYN 0.9229
194 OGA 0.9229
195 HSM 0.9228
196 ABU 0.9223
197 SRT 0.9218
198 QY9 0.9217
199 RSF 0.9217
200 GAG 0.9216
201 ABN 0.9212
202 PGA 0.9211
203 PY7 0.9211
204 RM1 0.9210
205 IND 0.9209
206 URP 0.9207
207 282 0.9205
208 KIV 0.9204
209 HYP 0.9201
210 4VP 0.9199
211 2AL 0.9198
212 GBD 0.9194
213 1WD 0.9193
214 TH0 0.9192
215 6M4 0.9191
216 5FX 0.9190
217 RBL 0.9189
218 DXX 0.9189
219 2AS 0.9188
220 1SP 0.9188
221 FP1 0.9185
222 270 0.9185
223 DGL 0.9184
224 2IT 0.9184
225 XUL 0.9179
226 MUC 0.9179
227 LEA 0.9178
228 BZI 0.9177
229 SER 0.9176
230 7WG 0.9175
231 6JN 0.9174
232 FBJ 0.9173
233 40E 0.9171
234 TH7 0.9169
235 PKU 0.9168
236 FB2 0.9168
237 MZW 0.9168
238 DGN 0.9165
239 KOJ 0.9164
240 SHA 0.9163
241 LZ1 0.9162
242 FA0 0.9162
243 5AC 0.9161
244 6CS 0.9159
245 J1Z 0.9157
246 GLY GLY 0.9157
247 DAV 0.9152
248 2CO 0.9149
249 MAK 0.9148
250 P92 0.9146
251 HYA 0.9142
252 OEM 0.9141
253 SW7 0.9141
254 DCL 0.9140
255 1DV 0.9140
256 54G 0.9138
257 4FA 0.9138
258 GYE 0.9138
259 MRY 0.9136
260 0CT 0.9136
261 XLS 0.9134
262 CSS 0.9134
263 DAL DAL 0.9133
264 261 0.9133
265 BZF 0.9131
266 IDM 0.9130
267 AHR 0.9128
268 DBH 0.9128
269 SPA 0.9123
270 LER 0.9122
271 OHG 0.9122
272 SKG 0.9120
273 8EW 0.9119
274 2MI 0.9119
275 4JT 0.9118
276 4JU 0.9117
277 ROR 0.9116
278 1SA 0.9115
279 4SD 0.9114
280 I2M 0.9113
281 PAC 0.9113
282 M6W 0.9112
283 MCT 0.9112
284 AEF 0.9112
285 DOB 0.9111
286 FW5 0.9110
287 MLA 0.9106
288 0VT 0.9103
289 FSG 0.9103
290 49F 0.9101
291 3HA 0.9101
292 51R 0.9099
293 4JP 0.9099
294 GLU 0.9095
295 GGL 0.9095
296 SS2 0.9095
297 PMB 0.9093
298 FLA 0.9093
299 4XR 0.9091
300 J9T 0.9091
301 6NA 0.9090
302 1LN 0.9089
303 8OZ 0.9087
304 KMT 0.9085
305 MPI 0.9084
306 9TY 0.9081
307 3PP 0.9081
308 BNS 0.9077
309 DHS 0.9076
310 MLI 0.9076
311 0R1 0.9076
312 3F0 0.9076
313 5CU 0.9075
314 UY7 0.9072
315 2HG 0.9072
316 NBE 0.9066
317 GJZ 0.9065
318 K6H 0.9065
319 DPR 0.9064
320 2FT 0.9063
321 1MC 0.9062
322 23B 0.9060
323 4M0 0.9058
324 HY1 0.9058
325 GVH 0.9056
326 Q88 0.9054
327 HDH 0.9052
328 2MH 0.9052
329 PRS 0.9052
330 SMN 0.9051
331 DSN 0.9050
332 CWM 0.9050
333 HX3 0.9048
334 H8N 0.9047
335 7N0 0.9045
336 GLN 0.9043
337 GRO 0.9043
338 069 0.9042
339 DMG 0.9042
340 MWM 0.9037
341 3HG 0.9034
342 TZL 0.9033
343 2DR 0.9033
344 0V5 0.9032
345 4JM 0.9031
346 RHU 0.9029
347 0R0 0.9028
348 4ZE 0.9027
349 TMH 0.9027
350 RUU 0.9027
351 BHA 0.9025
352 M1A 0.9025
353 13P 0.9023
354 PEZ 0.9022
355 VNJ 0.9021
356 KMH 0.9021
357 ASC 0.9021
358 1DQ 0.9020
359 HMH 0.9019
360 2YU 0.9019
361 2KT 0.9019
362 URF 0.9018
363 5JC 0.9017
364 RNS 0.9016
365 LDU 0.9016
366 3PY 0.9016
367 4HO 0.9015
368 FBA 0.9013
369 M4T 0.9012
370 C2B 0.9011
371 SSN 0.9010
372 FB1 0.9010
373 4JL 0.9009
374 JZ3 0.9009
375 RIB 0.9009
376 HUI 0.9008
377 3SK 0.9008
378 9RW 0.9007
379 2PG 0.9007
380 X1S 0.9002
381 EDG 0.9000
382 RNT 0.8999
383 S2G 0.8998
384 HSO 0.8997
385 ES0 0.8996
386 FEH 0.8994
387 HE2 0.8994
388 FUB 0.8993
389 AAE 0.8990
390 JZ4 0.8989
391 PEL 0.8988
392 P2D 0.8987
393 5MH 0.8987
394 45L 0.8985
395 HQE 0.8981
396 PAH 0.8980
397 GG6 0.8980
398 FCR 0.8979
399 ADE 0.8978
400 RMN 0.8978
401 278 0.8975
402 XBZ 0.8975
403 MZG 0.8975
404 HIU 0.8974
405 IT9 0.8974
406 NVI 0.8973
407 SD4 0.8972
408 A3B 0.8970
409 RCO 0.8970
410 1MR 0.8967
411 HT4 0.8966
412 I1E 0.8965
413 JFJ 0.8965
414 BE7 0.8962
415 LG4 0.8960
416 FBV 0.8959
417 KG7 0.8954
418 TDR 0.8953
419 FYU 0.8953
420 G3P 0.8951
421 275 0.8948
422 HIO 0.8946
423 YRL 0.8943
424 HPA 0.8942
425 PCR 0.8942
426 271 0.8942
427 1CO 0.8942
428 280 0.8941
429 PRI 0.8939
430 284 0.8939
431 MZ0 0.8937
432 URO 0.8937
433 NK 0.8936
434 HZP 0.8935
435 03W 0.8934
436 PLQ 0.8934
437 PGH 0.8932
438 BP9 0.8932
439 PXY 0.8930
440 CRS 0.8928
441 CYS 0.8927
442 43M 0.8925
443 OEG 0.8924
444 APY 0.8920
445 I4B 0.8917
446 IXW 0.8916
447 MLE 0.8915
448 25R 0.8915
449 XCZ 0.8915
450 3CH 0.8914
451 C5J 0.8912
452 LNO 0.8911
453 34A 0.8911
454 TM7 0.8909
455 R8A 0.8907
456 IZC 0.8907
457 PBE 0.8906
458 ONL 0.8905
459 BML 0.8903
460 2AC 0.8901
461 DA1 0.8899
462 URA 0.8898
463 A1U 0.8896
464 54D 0.8891
465 FPN 0.8891
466 PYJ 0.8890
467 R9M 0.8886
468 2MP 0.8884
469 IVA 0.8882
470 WBU 0.8882
471 4CL 0.8880
472 HVQ 0.8880
473 SGL 0.8880
474 QMP 0.8877
475 MYQ 0.8876
476 4JJ 0.8874
477 B24 0.8871
478 DGY 0.8870
479 3V4 0.8868
480 G2H 0.8868
481 MEV 0.8867
482 XYD 0.8865
483 3PG 0.8865
484 9X6 0.8863
485 ABA 0.8862
486 DOR 0.8861
487 BVF 0.8861
488 7A8 0.8860
489 LG3 0.8859
490 DYT 0.8858
491 27Y 0.8857
492 AG2 0.8857
493 BVC 0.8856
494 GP9 0.8855
495 HMU 0.8854
496 ACH 0.8853
497 286 0.8850
498 JZ1 0.8849
499 GLL 0.8847
500 HHA 0.8845
501 NSP 0.8845
502 OHP 0.8845
503 ISD 0.8845
504 JZ2 0.8844
505 GOJ 0.8844
506 PYD 0.8844
507 1GP 0.8844
508 CYT 0.8843
509 IP0 0.8841
510 5HY 0.8841
511 3HL 0.8840
512 DCD 0.8840
513 LG5 0.8836
514 KTA 0.8834
515 FPY 0.8833
516 CEE 0.8832
517 MSE 0.8831
518 ALA ALA 0.8831
519 NLP 0.8830
520 FUD 0.8830
521 23A 0.8830
522 10L 0.8826
523 DBB 0.8826
524 KYD 0.8825
525 G3H 0.8823
526 8EZ 0.8822
527 ICP 0.8822
528 PAE 0.8820
529 DPF 0.8820
530 R9S 0.8819
531 5UC 0.8819
532 39J 0.8817
533 32O 0.8815
534 9CL 0.8814
535 BUB 0.8814
536 R8S 0.8813
537 T2C 0.8809
538 SEP 0.8803
539 BR9 0.8802
540 BNF 0.8802
541 0OC 0.8802
542 SHV 0.8802
543 24B 0.8802
544 4CH 0.8800
545 4HS 0.8798
546 GOL 0.8796
547 47J 0.8795
548 UYA 0.8792
549 DCY 0.8792
550 IQ0 0.8790
551 26D 0.8786
552 IPU 0.8785
553 PUT 0.8785
554 PG0 0.8784
555 SME 0.8783
556 H76 0.8783
557 ZZT 0.8782
558 MXN 0.8780
559 PE9 0.8773
560 2LP 0.8772
561 HGQ 0.8772
562 BVG 0.8767
563 PLU 0.8767
564 M3T 0.8766
565 25T 0.8765
566 HJP 0.8764
567 HV2 0.8764
568 HHI 0.8762
569 C2A 0.8761
570 24T 0.8761
571 268 0.8760
572 HEW 0.8760
573 BXO 0.8759
574 4NG 0.8756
575 MLM 0.8753
576 B3R 0.8752
577 1AC 0.8748
578 C2N 0.8741
579 IDH 0.8738
580 MAH 0.8736
581 T9G 0.8734
582 7HP 0.8733
583 4JN 0.8732
584 URS 0.8730
585 1DH 0.8730
586 2RA 0.8730
587 DGJ 0.8729
588 AGK 0.8724
589 4H2 0.8724
590 258 0.8723
591 SAT 0.8721
592 LYS 0.8718
593 5XB 0.8705
594 A20 0.8703
595 SYM 0.8703
596 GIF 0.8702
597 2EZ 0.8700
598 SVD 0.8700
599 DUC 0.8700
600 3GR 0.8699
601 APG 0.8695
602 8GF 0.8693
603 PMF 0.8689
604 HPY 0.8687
605 CEJ 0.8684
606 GLO 0.8682
607 MPD 0.8682
608 129 0.8680
609 E60 0.8679
610 M2H 0.8676
611 FUF 0.8675
612 H3M 0.8674
613 1DJ 0.8674
614 CIG 0.8673
615 IPZ 0.8672
616 ODV 0.8670
617 ECE 0.8663
618 0MK 0.8663
619 CP 0.8662
620 3HR 0.8660
621 DTU 0.8658
622 2CL 0.8656
623 HHQ 0.8654
624 PRA 0.8654
625 3SS 0.8651
626 NEQ 0.8649
627 2IM 0.8648
628 HYN 0.8646
629 MEU 0.8642
630 3QM 0.8641
631 KP6 0.8640
632 RAT 0.8639
633 G4D 0.8636
634 XAP 0.8636
635 IFM 0.8632
636 PO6 0.8629
637 NYL 0.8626
638 ACA 0.8625
639 XIX 0.8609
640 1SH 0.8609
641 N4B 0.8602
642 7VD 0.8600
643 CXP 0.8599
644 GXE 0.8598
645 QOS 0.8596
646 3BU 0.8591
647 IPH 0.8590
648 XYS 0.8590
649 HPS 0.8580
650 GLY PRO 0.8576
651 RIP 0.8574
652 WOT 0.8560
653 IFL 0.8547
654 JIF 0.8540
655 FE DB1 0.8537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PXE; Ligand: GLV; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2VL1 GLY GLY 45.3488
2 2VL1 GLY GLY 45.3488
3 4PXD 1AL 48.6683
4 4PXD 1AL 48.6683
Pocket No.: 2; Query (leader) PDB : 4PXE; Ligand: GLV; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2VL1 GLY GLY 45.3488
2 2VL1 GLY GLY 45.3488
3 4PXD 1AL 48.6683
4 4PXD 1AL 48.6683
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