Receptor
PDB id Resolution Class Description Source Keywords
3O7U 1.71 Å EC: 3.5.4.1 CRYSTAL STRUCTURE OF CYTOSINE DEAMINASE FROM ESCHERICHIA COL COMPLEXED WITH ZINC AND PHOSPHONO-CYTOSINE ESCHERICHIA COLI (BETA-ALPHA)8 BARREL HYDROLASE HYDROLASE-HYDROLASE INHIBITCOMPLEX
Ref.: THREE-DIMENSIONAL STRUCTURE AND CATALYTIC MECHANISM CYTOSINE DEAMINASE. BIOCHEMISTRY V. 50 5077 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:431;
A:432;
A:433;
A:434;
A:435;
A:436;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
O7U A:430;
 Valid;
 none;
 Ki = 52 nM
147.072 C3 H6 N3 O2 P C1=C[...
PEG A:437;
A:438;
 Invalid;
Invalid;
 none;
none;
 submit data
106.12 C4 H10 O3 C(COC...
PXN A:427;
 Invalid;
 none;
 submit data
368.463 C17 H36 O8 C[C@H...
ZN A:428;
A:429;
 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
3O7U 1.71 Å EC: 3.5.4.1 CRYSTAL STRUCTURE OF CYTOSINE DEAMINASE FROM ESCHERICHIA COL COMPLEXED WITH ZINC AND PHOSPHONO-CYTOSINE ESCHERICHIA COLI (BETA-ALPHA)8 BARREL HYDROLASE HYDROLASE-HYDROLASE INHIBITCOMPLEX
Ref.: THREE-DIMENSIONAL STRUCTURE AND CATALYTIC MECHANISM CYTOSINE DEAMINASE. BIOCHEMISTRY V. 50 5077 2011
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3O7U Ki = 52 nM O7U C3 H6 N3 O2 P C1=C[P@](=....
2 3RN6 - IGA C5 H5 N5 O c1[nH]c2c(....
3 1K70 - HPY C4 H6 N2 O2 C1=CNC(=O)....
4 1RA5 - FPY C4 H5 F N2 O2 C1=C([C@@H....
5 1RA0 - FPY C4 H5 F N2 O2 C1=C([C@@H....
6 1RAK - FPY C4 H5 F N2 O2 C1=C([C@@H....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3O7U Ki = 52 nM O7U C3 H6 N3 O2 P C1=C[P@](=....
2 3RN6 - IGA C5 H5 N5 O c1[nH]c2c(....
3 1K70 - HPY C4 H6 N2 O2 C1=CNC(=O)....
4 1RA5 - FPY C4 H5 F N2 O2 C1=C([C@@H....
5 1RA0 - FPY C4 H5 F N2 O2 C1=C([C@@H....
6 1RAK - FPY C4 H5 F N2 O2 C1=C([C@@H....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3O7U Ki = 52 nM O7U C3 H6 N3 O2 P C1=C[P@](=....
2 3RN6 - IGA C5 H5 N5 O c1[nH]c2c(....
3 1K70 - HPY C4 H6 N2 O2 C1=CNC(=O)....
4 1RA5 - FPY C4 H5 F N2 O2 C1=C([C@@H....
5 1RA0 - FPY C4 H5 F N2 O2 C1=C([C@@H....
6 1RAK - FPY C4 H5 F N2 O2 C1=C([C@@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: O7U; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 O7U 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: O7U; Similar ligands found: 686
No: Ligand Similarity coefficient
1 DUC 0.9566
2 HPY 0.9564
3 5AC 0.9551
4 CP 0.9541
5 AUD 0.9532
6 CIZ 0.9478
7 284 0.9465
8 URA 0.9460
9 URQ 0.9446
10 ASN 0.9438
11 G2H 0.9432
12 RP7 0.9419
13 HIO 0.9388
14 CRN 0.9380
15 VAH 0.9378
16 IP0 0.9377
17 GBD 0.9372
18 GAG 0.9368
19 OAA 0.9363
20 RCO 0.9360
21 CYT 0.9349
22 CRS 0.9349
23 LG3 0.9343
24 OXQ 0.9336
25 6PC 0.9330
26 SAL 0.9325
27 26D 0.9324
28 3U4 0.9323
29 ES6 0.9322
30 BE2 0.9319
31 3CH 0.9312
32 SS2 0.9311
33 TAR 0.9311
34 RIB 0.9307
35 IDH 0.9306
36 3SK 0.9305
37 LG5 0.9301
38 ASP 0.9293
39 AGK 0.9293
40 4SV 0.9289
41 HGQ 0.9281
42 BVF 0.9279
43 TLA 0.9272
44 GIF 0.9269
45 8GF 0.9261
46 Z6J 0.9254
47 40E 0.9254
48 60P 0.9250
49 2DR 0.9250
50 IHG 0.9231
51 FPY 0.9228
52 IFM 0.9228
53 6JN 0.9227
54 GTQ 0.9226
55 MLT 0.9225
56 5RG 0.9224
57 ITN 0.9222
58 9TZ 0.9216
59 5M0 0.9215
60 XYP 0.9215
61 C2A 0.9214
62 54G 0.9213
63 XYS 0.9212
64 JKE 0.9205
65 LLQ 0.9204
66 APY 0.9204
67 SYN 0.9203
68 4H2 0.9202
69 1WD 0.9202
70 4CS 0.9200
71 278 0.9198
72 RSF 0.9194
73 KIV 0.9185
74 CIG 0.9184
75 51F 0.9181
76 JZ3 0.9179
77 6CS 0.9178
78 S0H 0.9178
79 XUL 0.9177
80 AMC 0.9177
81 6M4 0.9177
82 B3R 0.9177
83 261 0.9176
84 M3T 0.9176
85 OXZ 0.9173
86 5MK 0.9172
87 XLS 0.9171
88 FPK 0.9171
89 ARA 0.9169
90 MAE 0.9167
91 JZ1 0.9167
92 AZF 0.9166
93 7WV 0.9162
94 2XX 0.9162
95 9TY 0.9158
96 VNJ 0.9157
97 DTL 0.9154
98 3OC 0.9152
99 ARB 0.9148
100 AKB 0.9148
101 40O 0.9148
102 1XX 0.9147
103 ICC 0.9146
104 BNS 0.9144
105 CXL 0.9141
106 TB6 0.9140
107 CYH 0.9138
108 YCP 0.9138
109 PRY 0.9137
110 BR8 0.9136
111 ECE 0.9135
112 H3M 0.9134
113 286 0.9132
114 HZP 0.9130
115 URF 0.9127
116 JZ4 0.9127
117 HSE 0.9124
118 BSX 0.9124
119 HEW 0.9116
120 280 0.9116
121 HAI 0.9114
122 IOM 0.9113
123 WBU 0.9112
124 285 0.9108
125 PYG 0.9108
126 KYD 0.9107
127 HY3 0.9107
128 ALO 0.9106
129 64K 0.9105
130 3ZQ 0.9104
131 4PW 0.9103
132 AHR 0.9101
133 DFB 0.9100
134 6UA 0.9100
135 SX1 0.9100
136 TDR 0.9099
137 282 0.9099
138 A1U 0.9095
139 98J 0.9093
140 9X6 0.9090
141 MEV 0.9088
142 PYJ 0.9086
143 6HQ 0.9083
144 NK 0.9082
145 IFL 0.9079
146 SSN 0.9077
147 GLU 0.9076
148 RBL 0.9076
149 13X 0.9074
150 MCT 0.9073
151 23W 0.9066
152 DCL 0.9066
153 VAL 0.9065
154 NBE 0.9062
155 AX2 0.9061
156 PZA 0.9060
157 IPZ 0.9059
158 FBV 0.9059
159 HHQ 0.9058
160 ADE 0.9057
161 MWM 0.9056
162 4ZE 0.9054
163 NVA 0.9054
164 WDL 0.9052
165 RIP 0.9050
166 LRH 0.9050
167 47J 0.9049
168 5AN 0.9049
169 9CL 0.9044
170 THR 0.9044
171 LXC 0.9043
172 3FA 0.9043
173 ABN 0.9041
174 3XX 0.9038
175 SGL 0.9038
176 0MK 0.9038
177 DAS 0.9037
178 V1L 0.9034
179 FRU 0.9032
180 DAB 0.9031
181 7VD 0.9028
182 2YU 0.9027
183 1SP 0.9027
184 RNS 0.9025
185 5UC 0.9022
186 3AY 0.9021
187 PAE 0.9020
188 PYD 0.9020
189 ICP 0.9020
190 A2Q 0.9019
191 1MC 0.9019
192 XBZ 0.9019
193 2IM 0.9015
194 FW5 0.9014
195 SEJ 0.9013
196 5ZE 0.9012
197 NEQ 0.9012
198 4HO 0.9010
199 2AC 0.9010
200 43M 0.9009
201 92Z 0.9009
202 0TR 0.9008
203 B24 0.9005
204 S76 0.9002
205 PAF 0.8999
206 DMG 0.8997
207 PCA 0.8995
208 CAQ 0.8993
209 TZE 0.8992
210 LER 0.8992
211 MBD 0.8992
212 53C 0.8992
213 8EZ 0.8990
214 2MY 0.8987
215 FEH 0.8986
216 34A 0.8986
217 2C9 0.8984
218 IPH 0.8984
219 1DQ 0.8982
220 OXE 0.8982
221 TH0 0.8981
222 XYD 0.8980
223 2MP 0.8979
224 TMH 0.8979
225 PY7 0.8978
226 SAT 0.8978
227 6LW 0.8978
228 R1X 0.8978
229 R2B 0.8978
230 ERH 0.8976
231 HT4 0.8972
232 PRS 0.8971
233 IMR 0.8969
234 BAE 0.8968
235 CEJ 0.8968
236 1MR 0.8967
237 24T 0.8966
238 FUL 0.8966
239 6F0 0.8965
240 GYE 0.8963
241 3DO 0.8963
242 2LP 0.8963
243 PBE 0.8961
244 TM7 0.8960
245 51R 0.8959
246 9DA 0.8958
247 2CM 0.8957
248 6MP 0.8957
249 ODV 0.8955
250 2ZX 0.8955
251 7EX 0.8955
252 FPI 0.8955
253 TEO 0.8953
254 FLA 0.8952
255 KOJ 0.8951
256 7WA 0.8951
257 4JJ 0.8950
258 HPA 0.8950
259 FLM 0.8950
260 DFU 0.8948
261 MWJ 0.8947
262 SJ5 0.8946
263 TFB 0.8946
264 FFP 0.8945
265 ZZ3 0.8944
266 7HP 0.8943
267 3MC 0.8941
268 10L 0.8941
269 NOY 0.8941
270 9HX 0.8940
271 MRY 0.8938
272 NXA 0.8936
273 IND 0.8936
274 8EW 0.8935
275 G3F 0.8934
276 LEU 0.8933
277 ABE 0.8933
278 1LN 0.8931
279 32O 0.8931
280 DBH 0.8931
281 4CL 0.8930
282 5MH 0.8930
283 JZ2 0.8930
284 1AB 0.8927
285 DUB 0.8926
286 FUC 0.8925
287 4XR 0.8924
288 DMV 0.8924
289 HDA 0.8923
290 SIN 0.8923
291 YHO 0.8922
292 275 0.8922
293 FUB 0.8921
294 6MH 0.8921
295 4JO 0.8920
296 1PT 0.8920
297 8LG 0.8920
298 5JC 0.8920
299 MZG 0.8920
300 ROR 0.8919
301 192 0.8919
302 BZI 0.8919
303 SOE 0.8919
304 RM1 0.8918
305 GMN 0.8917
306 0CT 0.8917
307 IUR 0.8916
308 DMJ 0.8916
309 JIF 0.8915
310 L60 0.8915
311 3AB 0.8915
312 BEN 0.8914
313 3F0 0.8914
314 SS1 0.8913
315 ILE 0.8913
316 NCA 0.8911
317 HRZ 0.8911
318 KPL 0.8911
319 34V 0.8911
320 HCS 0.8910
321 HY1 0.8910
322 BR9 0.8910
323 MPD 0.8909
324 1DW 0.8908
325 0R1 0.8908
326 GVH 0.8907
327 2A7 0.8906
328 4JU 0.8906
329 2MH 0.8906
330 CXF 0.8905
331 3MH 0.8905
332 BAM 0.8904
333 AC5 0.8904
334 LMR 0.8904
335 QSC 0.8904
336 3HA 0.8904
337 RAM 0.8904
338 3PY 0.8902
339 MLI 0.8902
340 7N0 0.8901
341 LDU 0.8900
342 FP2 0.8900
343 1AN 0.8900
344 BEW 0.8896
345 93B 0.8894
346 NIO 0.8894
347 MPI 0.8893
348 FUF 0.8892
349 2AF 0.8891
350 GG6 0.8891
351 7CZ 0.8890
352 27Y 0.8890
353 L89 0.8888
354 3M0 0.8887
355 271 0.8885
356 BTE 0.8885
357 JZ9 0.8884
358 BZF 0.8883
359 IDM 0.8882
360 PBC 0.8881
361 4JP 0.8881
362 3V4 0.8880
363 0R0 0.8880
364 TM4 0.8879
365 DSN 0.8878
366 SER 0.8877
367 EYK 0.8876
368 M58 0.8876
369 12M 0.8874
370 PCT 0.8874
371 MNM 0.8873
372 JYD 0.8873
373 2PC 0.8872
374 MBN 0.8871
375 76X 0.8870
376 93Q 0.8870
377 AFR 0.8869
378 1AC 0.8869
379 LZ1 0.8867
380 3CE 0.8867
381 2AP 0.8866
382 PRO 0.8865
383 G5V 0.8865
384 2CH 0.8864
385 WOT 0.8863
386 YTB 0.8861
387 HBX 0.8861
388 BP1 0.8860
389 DBX 0.8860
390 DEN 0.8860
391 LFR 0.8859
392 4AP 0.8859
393 3SL 0.8858
394 HXX 0.8858
395 2RA 0.8857
396 HYP 0.8856
397 MLA 0.8856
398 69O 0.8855
399 5DI 0.8854
400 ES4 0.8854
401 DOR 0.8853
402 9PO 0.8851
403 R8S 0.8847
404 XM0 0.8846
405 A3B 0.8846
406 FA1 0.8846
407 EDG 0.8846
408 DBB 0.8846
409 F81 0.8843
410 PSV 0.8843
411 LSA 0.8843
412 FB1 0.8841
413 3AP 0.8841
414 FCA 0.8841
415 23B 0.8841
416 HTS 0.8840
417 XXR 0.8840
418 3NT 0.8839
419 NOJ 0.8838
420 MRZ 0.8837
421 HVK 0.8837
422 IPB 0.8837
423 SR1 0.8835
424 COI 0.8835
425 MXN 0.8835
426 E60 0.8834
427 N8P 0.8834
428 RUU 0.8833
429 4HM 0.8832
430 DIG 0.8831
431 DGJ 0.8831
432 LGC 0.8831
433 8S0 0.8830
434 BGC 0.8830
435 SMB 0.8829
436 3Z7 0.8829
437 G4D 0.8827
438 FX1 0.8826
439 3HB 0.8824
440 TLD 0.8824
441 BDF 0.8824
442 R8A 0.8823
443 1P3 0.8822
444 II6 0.8820
445 8GC 0.8819
446 23A 0.8819
447 HSL 0.8817
448 260 0.8817
449 SPV 0.8816
450 NTM 0.8815
451 2HE 0.8815
452 LCN 0.8815
453 MFB 0.8814
454 DXX 0.8813
455 MB3 0.8812
456 BEZ 0.8810
457 1DJ 0.8810
458 938 0.8810
459 DGY 0.8807
460 03W 0.8807
461 4RW 0.8806
462 9X7 0.8806
463 SF6 0.8804
464 BMA 0.8803
465 PEL 0.8803
466 MMZ 0.8802
467 PM6 0.8802
468 G2F 0.8802
469 3DM 0.8801
470 SYG 0.8800
471 7MH 0.8798
472 PMB 0.8797
473 PPV 0.8797
474 LGA 0.8797
475 NMJ 0.8795
476 2KT 0.8794
477 HYN 0.8791
478 URP 0.8791
479 PG0 0.8789
480 ASO 0.8786
481 RSO 0.8786
482 F05 0.8785
483 FYU 0.8784
484 TCZ 0.8784
485 XCZ 0.8782
486 T2C 0.8781
487 RB0 0.8780
488 JZ0 0.8780
489 GLC 0.8779
490 HIU 0.8778
491 GXE 0.8778
492 L3Q 0.8777
493 SF9 0.8777
494 KDF 0.8776
495 OEM 0.8775
496 4AX 0.8773
497 1DV 0.8773
498 4ZC 0.8771
499 DIE 0.8771
500 BP9 0.8769
501 GAB 0.8769
502 CHT 0.8767
503 39J 0.8766
504 H76 0.8765
505 CEE 0.8764
506 HVQ 0.8763
507 JZ7 0.8763
508 3RK 0.8763
509 KBB 0.8760
510 6AI 0.8759
511 PEA 0.8758
512 MAN 0.8755
513 T9G 0.8755
514 MZ0 0.8755
515 HMU 0.8751
516 JFD 0.8751
517 Y8I 0.8750
518 2PN 0.8749
519 MWP 0.8749
520 ARW 0.8749
521 RM4 0.8748
522 KG7 0.8747
523 BVG 0.8747
524 PHT 0.8745
525 TZL 0.8745
526 BZX 0.8744
527 SNE 0.8743
528 ICF 0.8737
529 FB2 0.8737
530 I2M 0.8736
531 34D 0.8735
532 C5J 0.8735
533 24B 0.8733
534 3HL 0.8733
535 TMT 0.8732
536 UYA 0.8731
537 QDK 0.8729
538 FCB 0.8723
539 T6C 0.8723
540 AS3 0.8721
541 9EW 0.8721
542 8CL 0.8720
543 HLR 0.8720
544 BVC 0.8718
545 C2N 0.8718
546 PAV 0.8716
547 EUG 0.8716
548 13P 0.8715
549 MET 0.8714
550 BHO 0.8713
551 CYS 0.8711
552 MZW 0.8711
553 DCY 0.8711
554 6X8 0.8710
555 HSM 0.8710
556 7WG 0.8710
557 4NC 0.8708
558 SRT 0.8708
559 SC2 0.8705
560 MAK 0.8703
561 AKG 0.8703
562 TTO 0.8702
563 VGL 0.8701
564 PEP 0.8701
565 1DU 0.8700
566 TMZ 0.8696
567 2TQ 0.8696
568 POP 0.8696
569 2PG 0.8696
570 KBG 0.8695
571 EKZ 0.8694
572 ORO 0.8691
573 YAN 0.8691
574 FBW 0.8686
575 FBT 0.8685
576 MNN 0.8685
577 35C 0.8684
578 1WG 0.8683
579 SVN 0.8682
580 J1Z 0.8681
581 RHU 0.8680
582 94N 0.8677
583 ABA 0.8676
584 K5W 0.8675
585 PEQ 0.8675
586 0V5 0.8675
587 GUN 0.8672
588 ZZT 0.8671
589 GIO 0.8670
590 AZA 0.8668
591 2K4 0.8665
592 Q88 0.8664
593 FOA 0.8664
594 5H1 0.8663
595 CNL 0.8661
596 2CQ 0.8661
597 PYF 0.8661
598 DTI 0.8660
599 P3K 0.8659
600 EDR 0.8659
601 ALL 0.8657
602 M2H 0.8656
603 PPF 0.8656
604 GAL 0.8655
605 5MB 0.8655
606 XAN 0.8653
607 25T 0.8650
608 14O 0.8647
609 5HN 0.8647
610 CMS 0.8647
611 IGA 0.8646
612 A2F 0.8646
613 2AL 0.8643
614 D1X 0.8642
615 PTO 0.8641
616 KSW 0.8640
617 OVV 0.8640
618 NBZ 0.8639
619 FCN 0.8639
620 150 0.8638
621 PIH 0.8636
622 9DG 0.8636
623 XIX 0.8635
624 25W 0.8635
625 5MI 0.8635
626 2EZ 0.8631
627 FA3 0.8630
628 2MN 0.8630
629 PRI 0.8629
630 DCD 0.8629
631 HHA 0.8627
632 GLA 0.8625
633 OPE 0.8623
634 0RW 0.8622
635 ES9 0.8622
636 F60 0.8621
637 HHN 0.8620
638 6AP 0.8614
639 290 0.8613
640 PLQ 0.8612
641 AAE 0.8611
642 273 0.8605
643 TNE 0.8603
644 4XX 0.8596
645 AZG 0.8595
646 3HR 0.8595
647 PCR 0.8595
648 LG4 0.8595
649 HX3 0.8594
650 PIS 0.8594
651 6M9 0.8591
652 HH5 0.8591
653 IVA 0.8591
654 ADK 0.8589
655 45C 0.8585
656 DMI 0.8582
657 ACH 0.8582
658 AOS 0.8579
659 DX4 0.8579
660 XPO 0.8579
661 CFP 0.8578
662 HGW 0.8576
663 H4N 0.8575
664 WOO 0.8572
665 MFU 0.8571
666 MMA 0.8569
667 FPN 0.8565
668 3MA 0.8561
669 TC7 0.8560
670 TBP 0.8560
671 P2D 0.8560
672 QUZ 0.8559
673 141 0.8557
674 F0J 0.8551
675 270 0.8548
676 HQE 0.8543
677 ES0 0.8541
678 DA1 0.8540
679 NPY 0.8535
680 7HQ 0.8531
681 F4Z 0.8530
682 CWM 0.8525
683 M1E 0.8521
684 DPF 0.8520
685 2CK 0.8512
686 PXY 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O7U; Ligand: O7U; 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: 3o7u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3O7U; Ligand: O7U; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 3o7u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4CQB MLI 46.5721
Pocket No.: 3; Query (leader) PDB : 3O7U; Ligand: O7U; 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: 3o7u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3O7U; Ligand: O7U; 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: 3o7u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3O7U; Ligand: O7U; 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: 3o7u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3O7U; Ligand: O7U; 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: 3o7u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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