Receptor
PDB id Resolution Class Description Source Keywords
1UAQ 1.6 Å EC: 3.5.4.1 THE CRYSTAL STRUCTURE OF YEAST CYTOSINE DEAMINASE SACCHAROMYCES CEREVISIAE ALPHA-BETA-ALPHA HYDROLASE
Ref.: CRYSTAL STRUCTURE OF YEAST CYTOSINE DEAMINASE. INSIGHTS INTO ENZYME MECHANISM AND EVOLUTION J.BIOL.CHEM. V. 278 19111 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DUC A:300;
B:300;
Valid;
Valid;
none;
none;
submit data
114.103 C4 H6 N2 O2 C1CNC...
ZN A:200;
B:200;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P6O 1.14 Å EC: 3.5.4.1 THE CRYSTAL STRUCTURE OF YEAST CYTOSINE DEAMINASE BOUND TO 4(R)-HYDROXYL-3,4-DIHYDROPYRIMIDINE AT 1.14 ANGSTROMS. SACCHAROMYCES CEREVISIAE CYTOSINE DEAMINASE HYDROLASE DIMER INHIBITOR BOUND
Ref.: THE 1.14 A CRYSTAL STRUCTURE OF YEAST CYTOSINE DEAMINASE. EVOLUTION OF NUCLEOTIDE SALVAGE ENZYMES AND IMPLICATIONS FOR GENETIC CHEMOTHERAPY. STRUCTURE V. 11 961 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UAQ - DUC C4 H6 N2 O2 C1CNC(=O)N....
2 1P6O - HPY C4 H6 N2 O2 C1=CNC(=O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UAQ - DUC C4 H6 N2 O2 C1CNC(=O)N....
2 1P6O - HPY C4 H6 N2 O2 C1=CNC(=O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UAQ - DUC C4 H6 N2 O2 C1CNC(=O)N....
2 1P6O - HPY C4 H6 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DUC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 DUC 1 1
2 HYN 0.44 0.755556
Similar Ligands (3D)
Ligand no: 1; Ligand: DUC; Similar ligands found: 745
No: Ligand Similarity coefficient
1 CYT 1.0000
2 HPY 1.0000
3 LG3 1.0000
4 26D 1.0000
5 RCO 1.0000
6 URA 1.0000
7 8GF 0.9998
8 CRS 0.9997
9 LG5 0.9988
10 3CH 0.9983
11 BVF 0.9958
12 CIG 0.9948
13 IDH 0.9923
14 HGQ 0.9879
15 4H2 0.9824
16 M3T 0.9817
17 24T 0.9796
18 B3R 0.9791
19 HEW 0.9784
20 7EX 0.9755
21 IPH 0.9742
22 CYH 0.9740
23 CEJ 0.9734
24 WOT 0.9726
25 LGA 0.9722
26 284 0.9722
27 9PO 0.9710
28 HRZ 0.9707
29 HVK 0.9707
30 MBN 0.9701
31 A2Q 0.9700
32 CXL 0.9699
33 3AP 0.9698
34 V1L 0.9698
35 2AP 0.9694
36 92Z 0.9693
37 RSF 0.9683
38 WDL 0.9682
39 URF 0.9681
40 1XX 0.9680
41 8LG 0.9679
42 HHQ 0.9676
43 6UA 0.9676
44 4AP 0.9668
45 L60 0.9659
46 WBU 0.9657
47 E60 0.9656
48 2IM 0.9650
49 TDR 0.9649
50 CAQ 0.9643
51 3FA 0.9634
52 1AN 0.9632
53 FP2 0.9631
54 PYG 0.9627
55 ICC 0.9627
56 MB3 0.9623
57 3AY 0.9617
58 ECE 0.9615
59 76X 0.9615
60 93Q 0.9615
61 AX2 0.9614
62 2AF 0.9612
63 H3M 0.9611
64 280 0.9611
65 FFP 0.9605
66 5ZE 0.9604
67 XIX 0.9602
68 L89 0.9596
69 4HO 0.9594
70 GMN 0.9594
71 2KT 0.9589
72 A1U 0.9589
73 MBD 0.9587
74 5UC 0.9584
75 PYD 0.9581
76 ICP 0.9581
77 HAI 0.9579
78 93B 0.9579
79 8CL 0.9572
80 2CH 0.9572
81 13X 0.9571
82 FLM 0.9570
83 MCT 0.9569
84 1MC 0.9569
85 3MC 0.9568
86 BR8 0.9566
87 O7U 0.9566
88 275 0.9565
89 2AC 0.9561
90 BEW 0.9560
91 GXE 0.9559
92 4ZE 0.9558
93 2ZX 0.9557
94 MWM 0.9554
95 2C9 0.9554
96 938 0.9550
97 285 0.9546
98 5AN 0.9546
99 HTS 0.9545
100 XBZ 0.9542
101 OXE 0.9538
102 282 0.9537
103 2MY 0.9533
104 XYD 0.9533
105 HSL 0.9531
106 MMZ 0.9527
107 6MH 0.9526
108 2DR 0.9526
109 TH0 0.9524
110 RP7 0.9521
111 25T 0.9521
112 2MP 0.9520
113 34A 0.9518
114 4CL 0.9516
115 MLI 0.9514
116 DUB 0.9511
117 MLA 0.9510
118 HBX 0.9506
119 JZ0 0.9499
120 40O 0.9499
121 ERH 0.9496
122 JZ3 0.9495
123 ABN 0.9486
124 4JJ 0.9485
125 HHN 0.9484
126 IUR 0.9483
127 TM4 0.9483
128 JZ2 0.9480
129 DTI 0.9479
130 KSW 0.9477
131 43M 0.9477
132 0R1 0.9476
133 4JO 0.9472
134 2CM 0.9470
135 FPI 0.9469
136 27Y 0.9469
137 GVH 0.9461
138 3MH 0.9460
139 BR9 0.9460
140 TTO 0.9459
141 GAG 0.9458
142 3ZQ 0.9457
143 J1Z 0.9456
144 IND 0.9455
145 3CE 0.9453
146 0CT 0.9452
147 MLM 0.9445
148 LZ1 0.9443
149 NK 0.9439
150 TM7 0.9439
151 SYN 0.9438
152 BZI 0.9438
153 ADE 0.9435
154 47J 0.9432
155 278 0.9431
156 MPI 0.9430
157 DMG 0.9429
158 DMI 0.9428
159 HT4 0.9427
160 4JP 0.9426
161 GBD 0.9425
162 4DX 0.9424
163 BZF 0.9423
164 C5J 0.9422
165 5MH 0.9417
166 MWJ 0.9416
167 TMT 0.9415
168 2YU 0.9414
169 DEN 0.9414
170 6MP 0.9413
171 OXQ 0.9396
172 5JC 0.9392
173 PIH 0.9391
174 HDA 0.9391
175 XYS 0.9387
176 AMC 0.9379
177 YAN 0.9379
178 1MR 0.9378
179 HPA 0.9375
180 DXX 0.9372
181 9DA 0.9369
182 5AC 0.9364
183 APY 0.9363
184 9HX 0.9362
185 HGW 0.9361
186 DGY 0.9359
187 4AX 0.9358
188 PLQ 0.9354
189 7HP 0.9353
190 C2A 0.9352
191 286 0.9350
192 PYF 0.9350
193 23W 0.9348
194 JZ1 0.9346
195 IDM 0.9345
196 RIB 0.9344
197 KG7 0.9339
198 0TR 0.9338
199 LER 0.9336
200 10L 0.9336
201 PYJ 0.9334
202 JZ9 0.9333
203 TLD 0.9332
204 PM6 0.9330
205 NBE 0.9330
206 0R0 0.9328
207 PY7 0.9324
208 ES4 0.9322
209 NEQ 0.9320
210 3PY 0.9318
211 HY3 0.9317
212 HQE 0.9315
213 PCR 0.9313
214 4XX 0.9310
215 YHO 0.9310
216 6X8 0.9309
217 DA1 0.9308
218 VAL 0.9305
219 2XX 0.9301
220 ASP 0.9300
221 MAK 0.9299
222 TCZ 0.9299
223 XYP 0.9295
224 FPN 0.9294
225 32O 0.9293
226 TMZ 0.9290
227 BP1 0.9289
228 OHG 0.9288
229 NVI 0.9287
230 BAQ 0.9285
231 MZ0 0.9283
232 7WA 0.9282
233 AMT 0.9275
234 6HQ 0.9274
235 Z6J 0.9270
236 GOL 0.9268
237 25R 0.9264
238 SER 0.9264
239 JIF 0.9264
240 BTE 0.9264
241 LG4 0.9259
242 Y8I 0.9258
243 M2H 0.9255
244 60P 0.9252
245 MLT 0.9251
246 3MT 0.9250
247 PXY 0.9249
248 DTL 0.9249
249 PCA 0.9248
250 HUI 0.9246
251 7CZ 0.9244
252 MZG 0.9240
253 RIP 0.9240
254 ARA 0.9240
255 51F 0.9238
256 DFU 0.9236
257 9CL 0.9236
258 HIU 0.9234
259 THR 0.9228
260 FPY 0.9226
261 03W 0.9226
262 23A 0.9226
263 1DH 0.9226
264 4CH 0.9225
265 R2B 0.9223
266 IFM 0.9222
267 DFB 0.9221
268 94N 0.9219
269 1CB 0.9217
270 AHR 0.9216
271 BVC 0.9210
272 CP 0.9210
273 OXL 0.9209
274 F05 0.9207
275 R8A 0.9203
276 AGK 0.9202
277 B24 0.9199
278 9EW 0.9197
279 FOA 0.9197
280 MZY 0.9197
281 7MH 0.9196
282 LXC 0.9196
283 R8S 0.9195
284 ARB 0.9195
285 2MH 0.9195
286 URQ 0.9193
287 GBL 0.9188
288 AAE 0.9188
289 HLR 0.9185
290 BZX 0.9182
291 PRO 0.9181
292 HOW 0.9181
293 MR3 0.9180
294 1AB 0.9180
295 3Z7 0.9180
296 6SP 0.9179
297 GIF 0.9176
298 1MZ 0.9176
299 2RA 0.9176
300 CIZ 0.9174
301 DE2 0.9173
302 2A7 0.9172
303 2AI 0.9170
304 DSN 0.9170
305 4JN 0.9169
306 6AI 0.9169
307 P1R 0.9169
308 ATQ 0.9169
309 A3B 0.9167
310 3TR 0.9166
311 2MZ 0.9163
312 SAL 0.9163
313 BML 0.9162
314 3XX 0.9160
315 0MK 0.9156
316 TFB 0.9155
317 4MZ 0.9154
318 DBB 0.9152
319 FW5 0.9152
320 4JU 0.9150
321 4HS 0.9147
322 L3Q 0.9145
323 MZW 0.9145
324 1AC 0.9142
325 BEN 0.9141
326 ABE 0.9140
327 AZF 0.9139
328 P2D 0.9139
329 H76 0.9138
330 TAR 0.9138
331 BNZ 0.9136
332 B20 0.9136
333 FUC 0.9136
334 PYC 0.9135
335 1DW 0.9135
336 SVN 0.9133
337 FUB 0.9133
338 ALO 0.9132
339 9TY 0.9131
340 150 0.9131
341 EDG 0.9131
342 4ZC 0.9129
343 3U4 0.9128
344 JZ6 0.9128
345 265 0.9127
346 1WG 0.9127
347 NCA 0.9126
348 KIV 0.9125
349 IQ0 0.9124
350 0PY 0.9122
351 PHZ 0.9119
352 SMB 0.9118
353 TZC 0.9115
354 BE2 0.9113
355 CYS 0.9112
356 PRI 0.9109
357 1PT 0.9109
358 98J 0.9109
359 4SV 0.9108
360 S76 0.9105
361 ES6 0.9105
362 5MB 0.9102
363 1SP 0.9101
364 MAE 0.9101
365 NBZ 0.9099
366 MRY 0.9098
367 AUD 0.9098
368 JBN 0.9094
369 BVG 0.9094
370 BEZ 0.9092
371 0RW 0.9091
372 NCM 0.9089
373 2CQ 0.9089
374 5KX 0.9086
375 2PC 0.9086
376 TMH 0.9086
377 14O 0.9084
378 YTB 0.9084
379 QOS 0.9083
380 2K4 0.9082
381 IMR 0.9082
382 P3K 0.9081
383 DAB 0.9081
384 OXZ 0.9080
385 R1X 0.9079
386 PRS 0.9079
387 F60 0.9078
388 SGL 0.9075
389 64K 0.9074
390 OAA 0.9073
391 FPK 0.9073
392 3HL 0.9073
393 5H1 0.9072
394 9X7 0.9072
395 ITN 0.9072
396 T6C 0.9070
397 DPR 0.9068
398 JFD 0.9068
399 PZA 0.9068
400 SEJ 0.9068
401 URP 0.9068
402 OXM 0.9067
403 4CS 0.9065
404 3ZS 0.9063
405 4XR 0.9062
406 F81 0.9062
407 HSE 0.9061
408 OXD 0.9061
409 ZZ3 0.9060
410 5MI 0.9060
411 39J 0.9059
412 IOL 0.9057
413 1WD 0.9057
414 3HR 0.9056
415 5MP 0.9053
416 PYR 0.9053
417 TLA 0.9050
418 34V 0.9050
419 ES9 0.9046
420 FLA 0.9045
421 IVA 0.9044
422 45C 0.9044
423 NIO 0.9044
424 192 0.9043
425 HVQ 0.9042
426 LDU 0.9042
427 FUF 0.9041
428 TP5 0.9038
429 VGL 0.9036
430 3OC 0.9034
431 CRN 0.9033
432 FYU 0.9031
433 3GR 0.9031
434 C21 0.9029
435 ABA 0.9027
436 KOJ 0.9026
437 RUU 0.9025
438 AKB 0.9024
439 QUZ 0.9024
440 VNJ 0.9021
441 69O 0.9021
442 2EZ 0.9019
443 A2F 0.9018
444 F4Z 0.9013
445 PBE 0.9010
446 6PC 0.9010
447 6M4 0.9010
448 6AP 0.9009
449 BYZ 0.9005
450 11S 0.9004
451 DCY 0.9003
452 BAM 0.9000
453 PAE 0.9000
454 3NT 0.8999
455 DTT 0.8999
456 H4N 0.8999
457 AZA 0.8997
458 HGY 0.8997
459 JAB 0.8997
460 FP1 0.8997
461 270 0.8995
462 SWD 0.8995
463 261 0.8994
464 35C 0.8994
465 SSN 0.8994
466 C2N 0.8992
467 FUL 0.8990
468 QSC 0.8989
469 HBA 0.8988
470 TC7 0.8986
471 XAN 0.8985
472 LMR 0.8985
473 CFP 0.8984
474 UY7 0.8984
475 JKE 0.8983
476 GAB 0.8979
477 MEU 0.8975
478 KPL 0.8974
479 6GU 0.8974
480 ES3 0.8974
481 HZP 0.8972
482 GXV 0.8972
483 GUN 0.8969
484 LAC 0.8964
485 DAL 0.8963
486 AZG 0.8962
487 IGA 0.8961
488 PYM 0.8960
489 BAE 0.8959
490 FK1 0.8959
491 8NY 0.8957
492 NPY 0.8957
493 290 0.8956
494 ASN 0.8956
495 1DU 0.8955
496 6M9 0.8953
497 HMH 0.8950
498 9DG 0.8949
499 2OP 0.8948
500 1P3 0.8945
501 3SK 0.8944
502 IP0 0.8943
503 7WV 0.8942
504 GLC 0.8942
505 SMV 0.8941
506 FCA 0.8940
507 M58 0.8940
508 MRZ 0.8938
509 IOM 0.8937
510 YH7 0.8937
511 HX3 0.8935
512 P92 0.8934
513 3HB 0.8932
514 2MI 0.8932
515 JZ5 0.8931
516 3AB 0.8930
517 NSP 0.8930
518 24B 0.8930
519 UNU 0.8929
520 8GC 0.8929
521 AX7 0.8928
522 KYD 0.8927
523 HYP 0.8926
524 JZ4 0.8925
525 BP9 0.8925
526 141 0.8924
527 ZZT 0.8923
528 BOA 0.8922
529 NOJ 0.8921
530 NAK 0.8921
531 T2C 0.8920
532 HMU 0.8920
533 BUO 0.8916
534 53C 0.8915
535 BSX 0.8915
536 DX4 0.8914
537 ADK 0.8914
538 3MA 0.8914
539 1XM 0.8913
540 YCP 0.8913
541 12M 0.8912
542 PAF 0.8912
543 ALA 0.8911
544 WCE 0.8910
545 6LW 0.8908
546 Q88 0.8907
547 NTN 0.8905
548 SS1 0.8905
549 XUL 0.8904
550 5HN 0.8901
551 SS2 0.8898
552 UYA 0.8893
553 THE 0.8892
554 5Y9 0.8891
555 AC0 0.8889
556 ARW 0.8888
557 4VP 0.8879
558 9X6 0.8879
559 HCS 0.8878
560 NMJ 0.8878
561 5RG 0.8877
562 IFL 0.8876
563 GOO 0.8875
564 0CU 0.8875
565 3BZ 0.8871
566 HH5 0.8870
567 MFB 0.8867
568 G4D 0.8867
569 IT2 0.8867
570 XQG 0.8866
571 OVV 0.8866
572 BCP 0.8863
573 NVA 0.8863
574 8EZ 0.8860
575 DCD 0.8860
576 ODV 0.8859
577 1LN 0.8859
578 ES0 0.8858
579 N7P 0.8857
580 TH7 0.8856
581 PYZ 0.8854
582 NIS 0.8849
583 TBP 0.8847
584 5M0 0.8839
585 HIO 0.8835
586 BRT 0.8834
587 PBC 0.8834
588 CWM 0.8832
589 DIE 0.8831
590 TZE 0.8829
591 4SD 0.8828
592 CHT 0.8828
593 3DM 0.8827
594 M1A 0.8826
595 ALQ 0.8825
596 RM1 0.8822
597 GTQ 0.8818
598 4PW 0.8815
599 XM0 0.8814
600 40E 0.8814
601 VAH 0.8812
602 FBA 0.8810
603 6CS 0.8806
604 HBS 0.8805
605 8H8 0.8805
606 14J 0.8805
607 7HQ 0.8801
608 25W 0.8799
609 I3A 0.8797
610 RM4 0.8796
611 2CK 0.8793
612 OXC 0.8793
613 DIG 0.8792
614 F5B 0.8790
615 67N 0.8789
616 3OH 0.8789
617 54G 0.8787
618 1DQ 0.8783
619 273 0.8781
620 260 0.8781
621 NOY 0.8779
622 GIO 0.8777
623 F0J 0.8777
624 ROR 0.8776
625 3F0 0.8775
626 G2F 0.8774
627 PHB 0.8773
628 JZ7 0.8771
629 NXA 0.8769
630 PAV 0.8769
631 DTU 0.8768
632 CSS 0.8768
633 6JN 0.8767
634 2TQ 0.8767
635 TAY 0.8767
636 ABV 0.8764
637 BNS 0.8762
638 RNS 0.8758
639 4JL 0.8758
640 PPF 0.8756
641 TB6 0.8752
642 1SQ 0.8751
643 271 0.8747
644 HY1 0.8747
645 1XN 0.8746
646 LCN 0.8746
647 FCB 0.8745
648 3M0 0.8745
649 4HM 0.8745
650 7B4 0.8743
651 SIN 0.8741
652 N5J 0.8740
653 2LP 0.8739
654 9TZ 0.8739
655 BGC 0.8737
656 M1E 0.8736
657 1LQ 0.8735
658 NMG 0.8735
659 XXR 0.8732
660 AC5 0.8730
661 IHG 0.8728
662 ILE 0.8726
663 23B 0.8726
664 BAL 0.8725
665 5MK 0.8725
666 7WG 0.8717
667 DAS 0.8717
668 CXF 0.8715
669 C2B 0.8714
670 3HA 0.8713
671 EUG 0.8712
672 BMA 0.8711
673 HLT 0.8711
674 MAN 0.8711
675 RAM 0.8710
676 5Q0 0.8709
677 DMJ 0.8707
678 G6D 0.8705
679 DGJ 0.8704
680 HV2 0.8703
681 JFJ 0.8702
682 DOR 0.8702
683 5IQ 0.8701
684 DBH 0.8700
685 UGC 0.8700
686 ICN 0.8696
687 PEL 0.8695
688 FAN 0.8692
689 XLS 0.8691
690 TF4 0.8690
691 XPO 0.8686
692 RSO 0.8685
693 SR1 0.8685
694 TZZ 0.8685
695 1NP 0.8684
696 TEO 0.8683
697 ASO 0.8683
698 V55 0.8682
699 MNM 0.8679
700 GLU 0.8677
701 JPZ 0.8676
702 6F0 0.8675
703 GRE 0.8674
704 SAR 0.8674
705 PEA 0.8674
706 5NU 0.8673
707 GLA 0.8670
708 S0H 0.8668
709 CEE 0.8661
710 IPZ 0.8659
711 5SG 0.8656
712 D2P 0.8653
713 FRU 0.8650
714 H8N 0.8646
715 MFU 0.8643
716 ORO 0.8641
717 HHA 0.8641
718 N8P 0.8639
719 COI 0.8636
720 SNE 0.8635
721 MSN 0.8634
722 4YS 0.8632
723 BUA 0.8631
724 GLL 0.8625
725 PTO 0.8623
726 Z82 0.8620
727 SJ5 0.8610
728 7VD 0.8608
729 HSM 0.8604
730 GAF 0.8594
731 GXL 0.8593
732 OEM 0.8588
733 FCN 0.8587
734 GLY CYS 0.8587
735 D1X 0.8578
736 5CU 0.8577
737 717 0.8577
738 6M1 0.8573
739 GAL 0.8571
740 BZ3 0.8565
741 2HE 0.8552
742 FQI 0.8548
743 LGC 0.8538
744 PA1 0.8533
745 KBG 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P6O; Ligand: HPY; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1p6o.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1VQ2 DDN 31.677
2 1VQ2 DDN 31.677
Pocket No.: 2; Query (leader) PDB : 1P6O; Ligand: HPY; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 1p6o.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1VQ2 DDN 31.677
2 1VQ2 DDN 31.677
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