Receptor
PDB id Resolution Class Description Source Keywords
1UWZ 1.99 Å EC: 3.5.4.5 BACILLUS SUBTILIS CYTIDINE DEAMINASE WITH AN ARG56 - ALA SUB BACILLUS SUBTILIS CYTIDINE DEAMINASE CDD TETRAMER ZINC BINDING PYRIMIDINE METABOLISM SALVAGE HYDROLASE
Ref.: STRUCTURAL, KINETIC, AND MUTATIONAL STUDIES OF THE ENVIRONMENT IN TETRAMERIC CYTIDINE DEAMINASE BIOCHEMISTRY V. 43 6020 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THU A:138;
B:138;
Valid;
Valid;
none;
none;
submit data
230.218 C9 H14 N2 O5 C1CN(...
ZN A:1131;
B:1131;
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
1UWZ 1.99 Å EC: 3.5.4.5 BACILLUS SUBTILIS CYTIDINE DEAMINASE WITH AN ARG56 - ALA SUB BACILLUS SUBTILIS CYTIDINE DEAMINASE CDD TETRAMER ZINC BINDING PYRIMIDINE METABOLISM SALVAGE HYDROLASE
Ref.: STRUCTURAL, KINETIC, AND MUTATIONAL STUDIES OF THE ENVIRONMENT IN TETRAMERIC CYTIDINE DEAMINASE BIOCHEMISTRY V. 43 6020 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1UX1 - THU C9 H14 N2 O5 C1CN(C(=O)....
2 1JTK - THU C9 H14 N2 O5 C1CN(C(=O)....
3 1UX0 - THU C9 H14 N2 O5 C1CN(C(=O)....
4 1UWZ - THU C9 H14 N2 O5 C1CN(C(=O)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UX1 - THU C9 H14 N2 O5 C1CN(C(=O)....
2 1JTK - THU C9 H14 N2 O5 C1CN(C(=O)....
3 1UX0 - THU C9 H14 N2 O5 C1CN(C(=O)....
4 1UWZ - THU C9 H14 N2 O5 C1CN(C(=O)....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UX1 - THU C9 H14 N2 O5 C1CN(C(=O)....
2 1JTK - THU C9 H14 N2 O5 C1CN(C(=O)....
3 1UX0 - THU C9 H14 N2 O5 C1CN(C(=O)....
4 1UWZ - THU C9 H14 N2 O5 C1CN(C(=O)....
5 2FR6 - URI C9 H12 N2 O6 C1=CN(C(=O....
6 1ZAB - URD C10 H13 N O6 C1C(=O)C=C....
7 2FR5 - TYU C9 H16 N2 O6 C1CN(C(=O)....
8 1MQ0 - BRD C10 H14 N2 O5 C1=CNC(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: THU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 THU 1 1
2 UMC 0.666667 0.852941
3 DUR 0.428571 0.935484
4 H2U 0.4 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: THU; Similar ligands found: 439
No: Ligand Similarity coefficient
1 DCZ 0.9875
2 THM 0.9781
3 ID2 0.9714
4 URI 0.9704
5 ZEB 0.9702
6 TYU 0.9697
7 CTN 0.9665
8 B86 0.9658
9 DDU 0.9657
10 MCY 0.9654
11 0DN 0.9636
12 5BT 0.9591
13 AR3 0.9587
14 URD 0.9577
15 5MD 0.9558
16 CTD 0.9498
17 5AE 0.9493
18 SCT 0.9487
19 5UD 0.9449
20 GEO 0.9432
21 2TU 0.9425
22 I5A 0.9419
23 3TC 0.9411
24 PIR 0.9408
25 3D1 0.9400
26 UUA 0.9388
27 F01 0.9388
28 3DT 0.9362
29 AHU 0.9351
30 XIF XYP 0.9348
31 MZR 0.9338
32 LLT 0.9336
33 LTT 0.9335
34 XYP XIF 0.9315
35 DHZ 0.9305
36 LDC 0.9290
37 TMC 0.9286
38 X11 0.9240
39 5AD 0.9238
40 1A7 0.9194
41 PF1 0.9186
42 PQT 0.9183
43 TRP 0.9177
44 ZIQ 0.9167
45 KYN 0.9165
46 5F1 0.9163
47 HPR 0.9155
48 PRH 0.9155
49 K80 0.9148
50 ADN 0.9147
51 AWE 0.9146
52 DNB 0.9145
53 FMQ 0.9133
54 Q4G 0.9122
55 RAB 0.9121
56 E0O 0.9119
57 YF3 0.9106
58 R9J 0.9105
59 92G 0.9104
60 2B4 0.9098
61 CK2 0.9097
62 ETV 0.9093
63 R9G 0.9089
64 ENO 0.9084
65 BPY 0.9079
66 54E 0.9077
67 PFF 0.9074
68 C0W 0.9071
69 MDR 0.9062
70 FTV 0.9062
71 Y3J 0.9061
72 7D7 0.9057
73 AVA 0.9056
74 XDK 0.9055
75 BRD 0.9052
76 IMH 0.9047
77 TCC 0.9045
78 FMC 0.9045
79 5FD 0.9045
80 TIA 0.9041
81 1KN 0.9041
82 0UL 0.9041
83 UA2 0.9040
84 A 0.9040
85 HNK 0.9038
86 NOS 0.9036
87 TIZ 0.9036
88 XDN XYP 0.9035
89 3SU 0.9033
90 30G 0.9030
91 WOE 0.9030
92 L13 0.9027
93 5N5 0.9025
94 9DI 0.9025
95 HNL 0.9025
96 TR7 0.9025
97 XYP XDN 0.9022
98 1DA 0.9022
99 CC5 0.9018
100 TYR 0.9017
101 PUR 0.9016
102 XYP XYP 0.9014
103 N1E 0.9013
104 1SF 0.9011
105 C53 0.9011
106 EXR 0.9010
107 FMB 0.9009
108 9UL 0.9007
109 TYC 0.9004
110 FCW 0.9001
111 46P 0.8991
112 TBN 0.8990
113 3AD 0.8990
114 DTR 0.8990
115 ARJ 0.8989
116 SOV 0.8985
117 EQW 0.8985
118 4I8 0.8984
119 BVD 0.8983
120 6HO 0.8983
121 5GT 0.8982
122 PZ8 0.8979
123 BP3 0.8975
124 EN1 0.8975
125 DTY 0.8972
126 AD3 0.8970
127 DAH 0.8969
128 YOF 0.8968
129 BZE 0.8968
130 RBV 0.8967
131 FHC 0.8962
132 1QP 0.8962
133 XIL 0.8961
134 Y4L 0.8959
135 LTN 0.8955
136 MXD 0.8955
137 C0H 0.8955
138 TH4 0.8952
139 L5D 0.8950
140 LL1 0.8949
141 AZZ 0.8946
142 XDL XYP 0.8945
143 4OG 0.8944
144 ZYV 0.8943
145 A4D 0.8941
146 5JT 0.8940
147 SY4 0.8940
148 MMS 0.8937
149 ISA 0.8935
150 CCV 0.8935
151 DEW 0.8934
152 H7S 0.8932
153 MTA 0.8929
154 FPL 0.8923
155 D3G 0.8921
156 6J9 0.8921
157 363 0.8921
158 MJ5 0.8920
159 5GV 0.8916
160 PCS 0.8914
161 1WC 0.8912
162 HX4 0.8912
163 9FH 0.8910
164 0A1 0.8908
165 4BF 0.8901
166 W29 0.8897
167 QUS 0.8895
168 2D2 0.8891
169 A7K 0.8888
170 BNL 0.8886
171 DBM 0.8884
172 B2T 0.8882
173 MTP 0.8881
174 0GA 0.8881
175 5NB 0.8880
176 NOC 0.8879
177 9FG 0.8876
178 BIO 0.8874
179 CH9 0.8873
180 0NX 0.8869
181 EQA 0.8866
182 9VZ 0.8866
183 G14 0.8864
184 IQQ 0.8863
185 X6P 0.8863
186 MPV 0.8863
187 AH9 0.8862
188 AUV 0.8862
189 833 0.8861
190 OCZ 0.8859
191 PHE 0.8859
192 F2W 0.8859
193 ENG 0.8858
194 3BH 0.8857
195 M02 0.8857
196 EAT 0.8857
197 FCD 0.8855
198 GF4 0.8855
199 8U3 0.8852
200 SWX 0.8851
201 4CF 0.8849
202 D1Y 0.8847
203 9PL 0.8847
204 SV4 0.8847
205 N8Z 0.8847
206 WSD 0.8846
207 61M 0.8845
208 NAL 0.8845
209 EGR 0.8844
210 1VK 0.8844
211 EAJ 0.8843
212 XYS XYP 0.8842
213 HBI 0.8842
214 JZA 0.8841
215 PHI 0.8841
216 IYR 0.8839
217 M3E 0.8839
218 9B3 0.8837
219 3VW 0.8837
220 DCF 0.8837
221 6MD 0.8837
222 RVE 0.8836
223 DXK 0.8833
224 TYE 0.8832
225 AVX 0.8832
226 IOP 0.8831
227 1Z6 0.8826
228 YE6 0.8826
229 3IL 0.8824
230 IOS 0.8822
231 78U 0.8821
232 JF6 0.8819
233 0A9 0.8819
234 TT4 0.8819
235 JGB 0.8817
236 FM1 0.8816
237 6KT 0.8816
238 CL9 0.8815
239 BQ2 0.8815
240 NIR 0.8814
241 DBS 0.8814
242 9BF 0.8813
243 5B2 0.8813
244 PPY 0.8813
245 RA7 0.8812
246 OA1 0.8812
247 RVD 0.8811
248 51Y 0.8809
249 5F8 0.8809
250 ROI 0.8808
251 DBQ 0.8807
252 GMP 0.8806
253 CFA 0.8806
254 ZZA 0.8804
255 2LT 0.8804
256 ZME 0.8804
257 HWD 0.8803
258 II4 0.8800
259 89J 0.8800
260 22L 0.8799
261 B2Y 0.8799
262 B41 0.8799
263 HNH 0.8797
264 5I5 0.8796
265 RQD 0.8795
266 Z70 0.8793
267 CK1 0.8792
268 5ID 0.8792
269 M1Z 0.8791
270 NCT 0.8791
271 5OO 0.8790
272 J9Q 0.8789
273 7VP 0.8788
274 HFA 0.8787
275 JRB 0.8787
276 2GD 0.8786
277 MSR 0.8786
278 TAL 0.8785
279 KTJ 0.8785
280 NK5 0.8782
281 3L1 0.8782
282 MUK 0.8778
283 XYA 0.8777
284 4G2 0.8777
285 50C 0.8776
286 WVV 0.8772
287 CH8 0.8771
288 NWW 0.8771
289 EUE 0.8770
290 36E 0.8770
291 X48 0.8768
292 AH3 0.8767
293 RPP 0.8765
294 0JD 0.8763
295 OQC 0.8763
296 M5E 0.8762
297 S0E 0.8761
298 795 0.8761
299 GNG 0.8760
300 54Z 0.8760
301 ZEC 0.8759
302 657 0.8759
303 MAJ 0.8757
304 XFE 0.8757
305 M5H 0.8756
306 EKH 0.8752
307 DE3 0.8750
308 NFA 0.8750
309 3GV 0.8750
310 MP5 0.8746
311 5CD 0.8745
312 BTM 0.8743
313 2UB 0.8743
314 4Z9 0.8740
315 FZM 0.8740
316 MPK 0.8739
317 JAH 0.8734
318 ITW 0.8734
319 ID8 0.8734
320 CPZ 0.8733
321 7QS 0.8732
322 QMS 0.8732
323 BP7 0.8732
324 B4O 0.8731
325 D2G 0.8730
326 NIY 0.8729
327 F4K 0.8727
328 R20 0.8727
329 NNR 0.8723
330 FT6 0.8723
331 M01 0.8722
332 SQ4 0.8721
333 CTE 0.8717
334 0LO 0.8717
335 EXD 0.8715
336 X6W 0.8713
337 FWD 0.8709
338 6MW 0.8709
339 4FF 0.8707
340 GNW 0.8706
341 6ZW 0.8705
342 B5A 0.8705
343 2FD 0.8705
344 6QF 0.8703
345 8OX 0.8702
346 97T 0.8702
347 RLG 0.8701
348 8D6 0.8701
349 A5E 0.8700
350 ZYW 0.8700
351 FM2 0.8699
352 DTE 0.8699
353 5V7 0.8699
354 80G 0.8699
355 T2D 0.8696
356 2FA 0.8693
357 TOH 0.8692
358 DPN 0.8691
359 4GU 0.8689
360 4XF 0.8689
361 4I5 0.8689
362 3Y7 0.8688
363 CWD 0.8686
364 3D8 0.8685
365 PPN 0.8684
366 1L5 0.8682
367 EVF 0.8682
368 XYP AHR 0.8681
369 IMG 0.8674
370 RUY 0.8672
371 9AA 0.8672
372 GXD 0.8671
373 TB8 0.8671
374 CS2 0.8658
375 M3Q 0.8658
376 HVE 0.8657
377 PH3 0.8656
378 AKD 0.8656
379 MTM 0.8655
380 TZF 0.8655
381 7UZ 0.8654
382 36Y 0.8654
383 IWD 0.8651
384 7AP 0.8650
385 1XA 0.8650
386 N2Z 0.8650
387 49O 0.8649
388 M72 0.8649
389 5FL 0.8648
390 4V2 0.8646
391 TZM 0.8642
392 EBP 0.8641
393 52C 0.8639
394 2QC 0.8637
395 7MX 0.8635
396 ODK 0.8635
397 2JX 0.8629
398 1F1 0.8629
399 BWD 0.8628
400 ZON 0.8627
401 ANC 0.8623
402 AH6 0.8622
403 BRH 0.8622
404 CJB 0.8622
405 PAU 0.8622
406 6DP 0.8621
407 KF5 0.8619
408 4FP 0.8618
409 3RP 0.8617
410 A9P 0.8613
411 96Z 0.8611
412 54X 0.8610
413 NQ7 0.8609
414 KDG 0.8609
415 3VQ 0.8608
416 BBY 0.8607
417 HA5 0.8606
418 NEU 0.8606
419 PTB 0.8605
420 MPU 0.8602
421 2F6 0.8599
422 SKF 0.8597
423 ATX 0.8595
424 36M 0.8592
425 MTH 0.8591
426 5E5 0.8590
427 H2B 0.8587
428 CLU 0.8584
429 7R4 0.8584
430 1ER 0.8574
431 ILE VAL 0.8573
432 R2P 0.8565
433 STT 0.8557
434 NI9 0.8550
435 88L 0.8549
436 UA5 0.8545
437 GZ2 0.8535
438 BQ5 0.8533
439 GB4 0.8532
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UWZ; Ligand: THU; 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: 1uwz.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UWZ; Ligand: THU; 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: 1uwz.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UWZ; Ligand: THU; 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: 1uwz.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UWZ; Ligand: THU; 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: 1uwz.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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