Receptor
PDB id Resolution Class Description Source Keywords
5FUV 2.3 Å EC: 2.7.1.21 CATALYTIC DOMAIN OF THYMIDINE KINASE FROM TRYPANOSOMA BRUCEI WITH DTHD TRYPANOSOMA BRUCEI TRANSFERASE THYMIDINE KINASE T.BRUCEI TBTK TKII DTHD
Ref.: CELL CYCLE REGULATION AND NOVEL STRUCTURAL FEATURES THYMIDINE KINASE, AN ESSENTIAL ENZYME IN TRYPANOSOM BRUCEI. MOL.MICROBIOL. V. 102 365 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1386;
B:1384;
A:1385;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ZN B:1386;
A:1389;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
THM B:1385;
A:1388;
 Valid;
Valid;
 none;
none;
 submit data
242.229 C10 H14 N2 O5 CC1=C...
PO4 A:1387;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FUW 2.2 Å EC: 2.7.1.21 CATALYTIC DOMAIN OF THYMIDINE KINASE FROM TRYPANOSOMA BRUCEI WITH DTMP OR DTHD TRYPANOSOMA BRUCEI TRANSFERASE THYMIDINE KINASE T.BRUCEI TBTK TKII DTHD D
Ref.: CELL CYCLE REGULATION AND NOVEL STRUCTURAL FEATURES THYMIDINE KINASE, AN ESSENTIAL ENZYME IN TRYPANOSOM BRUCEI. MOL.MICROBIOL. V. 102 365 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5FUV - THM C10 H14 N2 O5 CC1=CN(C(=....
2 5FUW - QBT C10 H17 N2 O8 P C[C@H]1CN(....
3 5FUX - QBT C10 H17 N2 O8 P C[C@H]1CN(....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4UXH ic50 = 1.1 uM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
2 5FUV - THM C10 H14 N2 O5 CC1=CN(C(=....
3 5FUW - QBT C10 H17 N2 O8 P C[C@H]1CN(....
4 5FUX - QBT C10 H17 N2 O8 P C[C@H]1CN(....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1XBT - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
2 1W4R - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
3 2WVJ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
4 4UXH ic50 = 1.1 uM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
5 2ORV Kd = 29 nM 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
6 2UZ3 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
7 1XX6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 5FUV - THM C10 H14 N2 O5 CC1=CN(C(=....
9 5FUW - QBT C10 H17 N2 O8 P C[C@H]1CN(....
10 5FUX - QBT C10 H17 N2 O8 P C[C@H]1CN(....
11 2ORW - 4TA C20 H25 N7 O20 P4 CC1=CN(C(=....
12 2QQ0 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
13 2QQE - THM C10 H14 N2 O5 CC1=CN(C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: THM; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 LLT 1 1
2 THM 1 1
3 0DN 0.777778 0.923077
4 TXS 0.704918 0.869565
5 TMP 0.693548 0.859155
6 T3S 0.68254 0.869565
7 TYD 0.641791 0.873239
8 ID2 0.637931 0.910448
9 T3P 0.629032 0.84507
10 TBD 0.623188 0.837838
11 AZZ 0.609375 0.857143
12 TTP 0.605634 0.873239
13 BVD 0.587302 0.953846
14 TTP MG 0.575342 0.871429
15 BTD 0.550725 0.873239
16 3DT 0.540984 0.953846
17 NYM 0.536232 0.835616
18 FDM 0.536232 0.8
19 THP 0.528571 0.84507
20 WMJ 0.525 0.78481
21 DAU 0.52381 0.863014
22 TLO 0.518519 0.849315
23 ATM 0.513514 0.779221
24 9RC 0.512195 0.743902
25 DUR 0.508197 0.952381
26 0TT 0.506494 0.926471
27 3YN 0.5 0.837838
28 1JB 0.494118 0.837838
29 18T 0.494118 0.837838
30 3R2 0.494118 0.826667
31 TRH 0.494118 0.837838
32 TDX 0.494118 0.849315
33 MCY 0.492308 0.925373
34 74W 0.488636 0.775
35 74X 0.488636 0.775
36 ATY 0.487179 0.824324
37 T3F 0.482759 0.815789
38 T3Q 0.482759 0.815789
39 DWN 0.482759 0.815789
40 5HU 0.478873 0.873239
41 T46 0.477273 0.837838
42 0N2 0.477273 0.805195
43 AZD 0.475 0.792208
44 MMF 0.47191 0.815789
45 0FX 0.47191 0.815789
46 UFP 0.464789 0.786667
47 2DT 0.463768 0.833333
48 QDM 0.461538 0.805195
49 BRU 0.458333 0.786667
50 JHZ 0.456522 0.794872
51 AKM 0.456522 0.775
52 FNF 0.456522 0.826667
53 1YF 0.456522 0.826667
54 5IU 0.452055 0.786667
55 3DR DT DT DT DT DT 0.451613 0.835616
56 4TG 0.451613 0.826667
57 BVP 0.435897 0.821918
58 T5A 0.431373 0.756098
59 TMC 0.426471 0.882353
60 ABT 0.425287 0.772152
61 DCZ 0.424242 0.880597
62 LDC 0.424242 0.880597
63 FUH 0.42 0.815789
64 QUH 0.42 0.815789
65 4TA 0.419048 0.743902
66 D3T 0.417722 0.847222
67 DT ME6 DT 0.415842 0.802632
68 5MD 0.411765 0.953125
69 DPB 0.407407 0.783784
70 TPE 0.406593 0.802632
71 5BT 0.405797 0.84507
72 B86 0.405797 0.84507
73 ADS THS THS THS 0.40367 0.738095
Similar Ligands (3D)
Ligand no: 1; Ligand: THM; Similar ligands found: 804
No: Ligand Similarity coefficient
1 SCT 0.9841
2 F01 0.9801
3 THU 0.9781
4 5UD 0.9722
5 MDR 0.9713
6 3D1 0.9711
7 AHU 0.9703
8 CTN 0.9628
9 URD 0.9591
10 DDU 0.9565
11 URI 0.9562
12 CL9 0.9557
13 ADN 0.9541
14 RAB 0.9531
15 TBN 0.9531
16 5AE 0.9530
17 AR3 0.9519
18 GNG 0.9518
19 2FD 0.9516
20 NOS 0.9508
21 5N5 0.9506
22 A 0.9502
23 1DA 0.9500
24 FMC 0.9490
25 CTD 0.9488
26 5FD 0.9484
27 9DI 0.9483
28 FMB 0.9469
29 2TU 0.9464
30 PUR 0.9463
31 PRH 0.9463
32 HPR 0.9463
33 UA2 0.9460
34 IMH 0.9456
35 3BH 0.9440
36 2FA 0.9419
37 TYU 0.9417
38 I5A 0.9412
39 GMP 0.9408
40 GEO 0.9405
41 5AD 0.9401
42 UUA 0.9382
43 DHZ 0.9380
44 DNB 0.9379
45 5NB 0.9368
46 ZEB 0.9364
47 IMG 0.9358
48 AD3 0.9355
49 ZYV 0.9355
50 W29 0.9352
51 3RP 0.9345
52 RBV 0.9345
53 TAL 0.9336
54 7D7 0.9335
55 RFZ 0.9324
56 8HG 0.9319
57 CDY 0.9315
58 A4D 0.9314
59 5CD 0.9311
60 DCF 0.9300
61 3AD 0.9298
62 NWW 0.9292
63 FWD 0.9290
64 RPP 0.9281
65 6MD 0.9280
66 H7S 0.9269
67 5ID 0.9264
68 FTU 0.9262
69 MTI 0.9262
70 4MP 0.9259
71 MTM 0.9252
72 EKH 0.9250
73 CFE 0.9249
74 ANU 0.9249
75 PIR 0.9242
76 5JT 0.9236
77 BRD 0.9230
78 3L1 0.9228
79 TIZ 0.9227
80 ZYW 0.9227
81 YOF 0.9217
82 DAH 0.9216
83 1ZC 0.9214
84 9UL 0.9212
85 DBM 0.9211
86 FM1 0.9210
87 MTH 0.9209
88 MTA 0.9209
89 MTP 0.9208
90 IYR 0.9208
91 NNR 0.9208
92 28B 0.9204
93 II4 0.9202
94 CWD 0.9201
95 FM2 0.9199
96 CNI 0.9197
97 8OX 0.9197
98 XYA 0.9195
99 TIA 0.9193
100 M02 0.9185
101 JFS 0.9180
102 JWS 0.9179
103 JA3 0.9179
104 TRP 0.9179
105 DTR 0.9170
106 JY4 0.9163
107 EXR 0.9162
108 LTN 0.9159
109 L5D 0.9158
110 Q4G 0.9153
111 IQQ 0.9153
112 CTE 0.9153
113 4UO 0.9139
114 K80 0.9139
115 BWD 0.9136
116 5V7 0.9134
117 KYN 0.9134
118 CC5 0.9134
119 P2L 0.9132
120 B2T 0.9132
121 LTT 0.9131
122 LL1 0.9129
123 X11 0.9127
124 8DA 0.9125
125 DNQ 0.9119
126 JGB 0.9119
127 NAL 0.9115
128 HVE 0.9111
129 3IL 0.9108
130 MMS 0.9101
131 2QU 0.9101
132 IWD 0.9100
133 S8D 0.9097
134 EZN 0.9092
135 69K 0.9090
136 D1Y 0.9089
137 TR7 0.9085
138 AMR 0.9083
139 5I5 0.9082
140 NIY 0.9079
141 WDW 0.9075
142 PQT 0.9071
143 MG7 0.9070
144 C0W 0.9069
145 TCC 0.9066
146 ZIQ 0.9063
147 3D8 0.9060
148 ITW 0.9058
149 2UD 0.9057
150 QMR 0.9057
151 MIL 0.9054
152 DBS 0.9053
153 9B3 0.9051
154 M5H 0.9050
155 4I5 0.9050
156 WOE 0.9049
157 A7K 0.9046
158 YF3 0.9044
159 0GA 0.9042
160 MXD 0.9041
161 SY4 0.9040
162 6J9 0.9040
163 C0H 0.9039
164 ENG 0.9034
165 MCF 0.9029
166 5F8 0.9028
167 DXK 0.9027
168 4OG 0.9024
169 NEU 0.9021
170 2P3 0.9021
171 MUK 0.9020
172 7AP 0.9018
173 MBY 0.9016
174 M01 0.9016
175 X2M 0.9016
176 PF1 0.9014
177 5E5 0.9013
178 4AB 0.9012
179 FPL 0.9012
180 HWD 0.9011
181 BIO 0.9007
182 B41 0.9007
183 4Z9 0.9005
184 ETV 0.9004
185 AUV 0.9002
186 GL6 0.8998
187 4GU 0.8998
188 RVE 0.8997
189 3SU 0.8996
190 1KN 0.8995
191 GA2 0.8993
192 WCU 0.8993
193 BP7 0.8992
194 OX2 0.8992
195 5FL 0.8989
196 WVV 0.8989
197 CMU 0.8988
198 EXL 0.8988
199 JMQ 0.8986
200 4G2 0.8986
201 MJ5 0.8985
202 C4E 0.8985
203 5TZ 0.8983
204 ZME 0.8982
205 26A 0.8981
206 1SF 0.8981
207 6DQ 0.8980
208 833 0.8979
209 HNK 0.8979
210 X48 0.8979
211 XTS 0.8977
212 6FB 0.8977
213 96Z 0.8976
214 1XS 0.8974
215 OCZ 0.8974
216 NE2 0.8972
217 1QP 0.8971
218 78U 0.8969
219 A4G 0.8968
220 AOJ 0.8967
221 M83 0.8966
222 KCH 0.8966
223 22L 0.8965
224 89J 0.8964
225 7MX 0.8963
226 S0G 0.8961
227 2KU 0.8961
228 MPU 0.8959
229 OA1 0.8959
230 IOP 0.8958
231 F2W 0.8956
232 ZSP 0.8953
233 XFE 0.8953
234 ACE TRP 0.8953
235 092 0.8951
236 1A7 0.8950
237 CH8 0.8949
238 EXX 0.8947
239 N1E 0.8947
240 SOV 0.8946
241 TI7 0.8946
242 KP2 0.8946
243 M3E 0.8945
244 TCL 0.8944
245 FC2 0.8943
246 B5A 0.8942
247 EAJ 0.8942
248 UKV 0.8940
249 6HP 0.8939
250 8UY 0.8939
251 DTE 0.8937
252 ZMG 0.8935
253 7CI 0.8934
254 0DF 0.8934
255 AVA 0.8933
256 2GQ 0.8933
257 CK2 0.8932
258 JP2 0.8931
259 JVQ 0.8930
260 PRL 0.8929
261 2QV 0.8928
262 YE6 0.8927
263 HRM 0.8926
264 ALN 0.8926
265 2GD 0.8926
266 EN1 0.8924
267 6ZW 0.8924
268 PIQ 0.8924
269 TO1 0.8923
270 BZE 0.8922
271 HO4 0.8922
272 CCV 0.8922
273 BZM 0.8920
274 Q2S 0.8918
275 XIF XYP 0.8917
276 XYP XIF 0.8917
277 848 0.8917
278 H4E 0.8915
279 61M 0.8911
280 BBY 0.8907
281 Q0K 0.8906
282 H70 0.8906
283 E0O 0.8904
284 5E4 0.8902
285 27M 0.8902
286 BQ2 0.8902
287 EAT 0.8900
288 6HO 0.8898
289 AVX 0.8897
290 N8M 0.8897
291 5F5 0.8893
292 9W5 0.8892
293 N2Y 0.8891
294 BGU 0.8891
295 FQX 0.8890
296 DTY 0.8889
297 TYR 0.8889
298 CLZ 0.8888
299 TJM 0.8887
300 MPK 0.8886
301 AZY 0.8885
302 1HP 0.8885
303 H4B 0.8884
304 HBI 0.8881
305 H2B 0.8881
306 S1D 0.8880
307 M2T 0.8876
308 VBC 0.8875
309 NVU 0.8874
310 JSX 0.8874
311 IOS 0.8873
312 X6P 0.8872
313 RQD 0.8870
314 2JX 0.8869
315 B4O 0.8869
316 4WF 0.8868
317 QMS 0.8868
318 F40 0.8866
319 LJ3 0.8863
320 88R 0.8862
321 FTV 0.8861
322 6MW 0.8861
323 A4N 0.8860
324 HDU 0.8860
325 BHS 0.8860
326 30G 0.8859
327 P4L 0.8859
328 1FL 0.8859
329 3TC 0.8858
330 0A1 0.8857
331 6QT 0.8856
332 EQA 0.8855
333 1Z6 0.8855
334 LJ4 0.8851
335 8U3 0.8850
336 51Y 0.8850
337 EYY 0.8847
338 G14 0.8847
339 2J5 0.8846
340 5GV 0.8846
341 2O6 0.8845
342 6DP 0.8843
343 363 0.8838
344 Y4L 0.8837
345 SBI 0.8835
346 PE2 0.8835
347 F16 0.8832
348 8OE 0.8829
349 7L4 0.8828
350 0FR 0.8827
351 JF8 0.8827
352 M78 0.8827
353 68A 0.8826
354 PCQ 0.8826
355 M3Q 0.8826
356 GNW 0.8824
357 C53 0.8824
358 DBQ 0.8823
359 G30 0.8823
360 FHC 0.8823
361 FB4 0.8821
362 4I8 0.8821
363 92O 0.8820
364 MR6 0.8819
365 8OB 0.8815
366 3IB 0.8813
367 1ER 0.8812
368 64C 0.8812
369 JYE 0.8812
370 3J8 0.8811
371 AP6 0.8810
372 EYJ 0.8809
373 W8G 0.8807
374 9FG 0.8806
375 BDJ 0.8806
376 LIP 0.8806
377 DE3 0.8805
378 FCD 0.8805
379 WV7 0.8804
380 4AU 0.8804
381 EGR 0.8803
382 2UZ 0.8802
383 NWD 0.8802
384 9BF 0.8802
385 DEW 0.8801
386 8XL 0.8799
387 IA2 0.8799
388 Q5M 0.8798
389 0XT 0.8798
390 2B4 0.8797
391 HHS 0.8797
392 38B 0.8796
393 92G 0.8795
394 AP4 0.8794
395 HNL 0.8793
396 G6P 0.8793
397 KMY 0.8793
398 7QV 0.8791
399 ANC 0.8791
400 EWG 0.8791
401 ID8 0.8789
402 FDR 0.8788
403 PH2 0.8787
404 ARP 0.8787
405 B21 0.8786
406 790 0.8784
407 CH9 0.8784
408 MP5 0.8783
409 9FH 0.8782
410 4NR 0.8780
411 RVD 0.8780
412 GRX 0.8780
413 TLG 0.8779
414 TCR 0.8778
415 8P3 0.8776
416 GAT 0.8774
417 0SY 0.8773
418 WS7 0.8773
419 BB4 0.8772
420 TB8 0.8772
421 BPY 0.8770
422 43F 0.8770
423 KTJ 0.8768
424 78Y 0.8768
425 103 0.8768
426 SGV 0.8768
427 VUP 0.8768
428 AWE 0.8767
429 8MO 0.8767
430 ACK 0.8767
431 TQU 0.8767
432 JXT 0.8765
433 TLM 0.8764
434 ZON 0.8761
435 XYP AHR 0.8761
436 6BL 0.8760
437 ZYR 0.8760
438 4R1 0.8760
439 N0Z 0.8759
440 LUM 0.8758
441 XYP XYP 0.8758
442 0XR 0.8758
443 QBT 0.8758
444 XYP XDN 0.8758
445 IDZ 0.8757
446 BZJ 0.8757
447 XDK 0.8756
448 WSD 0.8756
449 XDN XYP 0.8756
450 BG6 0.8755
451 16Z 0.8755
452 FMQ 0.8755
453 3VW 0.8754
454 4FF 0.8754
455 BZQ 0.8754
456 CX6 0.8753
457 1WC 0.8753
458 9JT 0.8753
459 VM1 0.8753
460 0F9 0.8753
461 6QF 0.8752
462 U4J 0.8751
463 2C2 0.8751
464 S0E 0.8751
465 2J1 0.8751
466 0OL 0.8750
467 50C 0.8750
468 ZJB 0.8749
469 7VF 0.8748
470 57O 0.8748
471 C2Y 0.8748
472 DX3 0.8746
473 17C 0.8746
474 344 0.8745
475 ALE 0.8745
476 5P7 0.8744
477 TIY 0.8744
478 4EU 0.8744
479 NPA 0.8743
480 SV4 0.8743
481 78P 0.8742
482 Z21 0.8742
483 NCV 0.8741
484 SYE 0.8740
485 CJZ 0.8740
486 XI7 0.8739
487 TMG 0.8738
488 657 0.8738
489 ROI 0.8737
490 GZ2 0.8736
491 XEN 0.8736
492 CEG 0.8734
493 LZ2 0.8734
494 YE7 0.8734
495 HA5 0.8734
496 PBQ 0.8733
497 Q92 0.8732
498 4KL 0.8731
499 A4Q 0.8730
500 I2E 0.8730
501 3Y7 0.8730
502 ASE 0.8729
503 ENO 0.8728
504 HWH 0.8728
505 TYE 0.8728
506 BP3 0.8727
507 CB1 0.8727
508 CSN 0.8727
509 DPT 0.8726
510 BY5 0.8726
511 A5H 0.8725
512 ISA 0.8725
513 CUT 0.8723
514 ZEA 0.8723
515 TSR 0.8722
516 5P3 0.8721
517 CFA 0.8721
518 5WN 0.8721
519 NE1 0.8720
520 5NS 0.8718
521 FHI 0.8717
522 2UB 0.8717
523 EXG 0.8713
524 5O5 0.8712
525 15N 0.8712
526 0OK 0.8711
527 DNA 0.8711
528 H5B 0.8710
529 JRO 0.8710
530 MAJ 0.8710
531 JRB 0.8709
532 I4D 0.8709
533 6J3 0.8709
534 B23 0.8709
535 HA6 0.8708
536 3WJ 0.8706
537 SKF 0.8704
538 92P 0.8704
539 TVC 0.8704
540 F63 0.8703
541 7QY 0.8702
542 JF1 0.8701
543 EVF 0.8701
544 PYU 0.8701
545 JZA 0.8700
546 K48 0.8700
547 CUH 0.8700
548 0OP 0.8700
549 0FK 0.8699
550 6HX 0.8698
551 0JD 0.8697
552 Q9T 0.8697
553 L22 0.8697
554 XCG 0.8697
555 HNH 0.8696
556 FF2 0.8695
557 2K8 0.8695
558 LR2 0.8694
559 38E 0.8694
560 WS6 0.8693
561 MUR 0.8692
562 ONR 0.8692
563 A1Y 0.8691
564 U2Z 0.8691
565 DRG 0.8691
566 C9E 0.8690
567 28N 0.8690
568 BZC 0.8690
569 537 0.8689
570 QQX 0.8689
571 FT1 0.8688
572 I59 0.8687
573 9PL 0.8686
574 RSV 0.8686
575 M5E 0.8686
576 B2Y 0.8685
577 AJD 0.8685
578 PEY 0.8684
579 6KT 0.8684
580 IAC 0.8683
581 DT7 0.8683
582 JG8 0.8683
583 6X9 0.8683
584 S7G 0.8682
585 JVN 0.8682
586 DHY 0.8681
587 GO2 0.8681
588 PMP 0.8681
589 8HC 0.8680
590 2LY 0.8680
591 JF2 0.8679
592 11X 0.8679
593 2LW 0.8679
594 EXD 0.8679
595 YO5 0.8678
596 IPD 0.8678
597 9FL 0.8678
598 EYV 0.8677
599 NAG 0.8676
600 BQ5 0.8676
601 ABF 0.8676
602 FBC 0.8675
603 EYA 0.8675
604 V1T 0.8674
605 GEN 0.8674
606 WA2 0.8673
607 DIF 0.8673
608 1V1 0.8673
609 IMQ 0.8673
610 MOK 0.8673
611 N91 0.8672
612 1VK 0.8672
613 B56 0.8670
614 6JO 0.8670
615 9MR 0.8669
616 THA 0.8668
617 1KP 0.8666
618 A73 0.8665
619 JMS 0.8665
620 S60 0.8664
621 YIH 0.8663
622 4FP 0.8661
623 7R7 0.8661
624 EV2 0.8660
625 4V2 0.8660
626 9AA 0.8660
627 L5E 0.8660
628 DIH 0.8660
629 IQW 0.8660
630 3W1 0.8659
631 MQG 0.8657
632 49O 0.8657
633 ZRK 0.8656
634 CHQ 0.8656
635 4RU 0.8656
636 WL3 0.8654
637 K7H 0.8653
638 0UL 0.8653
639 X8D 0.8652
640 GI1 0.8650
641 2D2 0.8650
642 G1P 0.8648
643 G12 0.8648
644 3B4 0.8646
645 EY7 0.8646
646 54E 0.8646
647 581 0.8646
648 SG2 0.8645
649 9RM 0.8644
650 E1T 0.8644
651 U 0.8643
652 PJW 0.8642
653 SGP 0.8641
654 ODK 0.8641
655 GOE 0.8640
656 9F8 0.8640
657 36E 0.8639
658 WUB 0.8638
659 P9E 0.8637
660 NPL 0.8637
661 26C 0.8636
662 EYM 0.8636
663 XRX 0.8635
664 8VR 0.8635
665 0J4 0.8635
666 AC2 0.8635
667 64E 0.8635
668 KYA 0.8635
669 ZZA 0.8634
670 54Z 0.8634
671 39O 0.8633
672 42R 0.8632
673 AY4 0.8632
674 3VX 0.8630
675 HHR 0.8629
676 GVY 0.8629
677 QQY 0.8628
678 PLR 0.8628
679 4TU 0.8628
680 M6P 0.8627
681 ZEC 0.8625
682 QUS 0.8624
683 IFM BGC 0.8624
684 JR2 0.8624
685 EFX 0.8623
686 5TY 0.8622
687 GNV 0.8621
688 DNC 0.8621
689 5VL 0.8621
690 TT4 0.8621
691 N2M 0.8620
692 EUE 0.8620
693 RNK 0.8618
694 RVB 0.8618
695 BP6 0.8618
696 DNF 0.8617
697 LVY 0.8617
698 CKA 0.8617
699 XRS 0.8617
700 NLA 0.8614
701 PH3 0.8613
702 9FE 0.8613
703 NI9 0.8613
704 Q77 0.8613
705 JYK 0.8612
706 BA5 0.8611
707 LDR 0.8610
708 CXH 0.8609
709 X0U 0.8609
710 JTA 0.8606
711 E3X 0.8606
712 CU8 0.8606
713 HBO 0.8606
714 SLS 0.8605
715 I6G 0.8605
716 9ZE 0.8601
717 1DR 0.8598
718 TR4 0.8598
719 R6T 0.8597
720 X04 0.8597
721 N9J 0.8597
722 B1J 0.8595
723 S3C 0.8595
724 TYP 0.8595
725 M6D 0.8595
726 MNP 0.8594
727 APS 0.8592
728 4AN 0.8592
729 L13 0.8592
730 GLP 0.8590
731 ANF 0.8589
732 2FQ 0.8589
733 HNT 0.8589
734 GNR 0.8589
735 977 0.8588
736 97T 0.8587
737 724 0.8587
738 1QV 0.8586
739 DHC 0.8585
740 8G6 0.8585
741 ISC 0.8584
742 AA 0.8583
743 3QV 0.8582
744 774 0.8582
745 AUT 0.8582
746 A6H 0.8581
747 5GT 0.8581
748 HMD 0.8580
749 BGP 0.8580
750 M6Z 0.8577
751 UL1 0.8575
752 GJK 0.8574
753 F1X 0.8574
754 JYT 0.8574
755 1A5 0.8574
756 PLP 0.8573
757 MZM 0.8571
758 F5C 0.8571
759 5NI 0.8571
760 9AP 0.8570
761 7Q1 0.8570
762 U13 0.8570
763 VXX 0.8570
764 RIS 0.8568
765 IM5 0.8567
766 BIE 0.8567
767 ML1 0.8566
768 LAH 0.8564
769 Z17 0.8564
770 683 0.8564
771 57D 0.8563
772 A4T 0.8562
773 GJP 0.8562
774 R20 0.8561
775 LFN 0.8561
776 OQC 0.8560
777 3AK 0.8557
778 ET0 0.8554
779 OJD 0.8554
780 H35 0.8553
781 UAY 0.8553
782 6C8 0.8552
783 AN3 0.8552
784 96U 0.8551
785 PXP 0.8551
786 AH6 0.8551
787 DCM 0.8551
788 0J2 0.8549
789 AZM 0.8548
790 HNM 0.8547
791 47V 0.8546
792 LFQ 0.8545
793 XYS XYS 0.8544
794 A6P 0.8540
795 UFO 0.8539
796 7M2 0.8538
797 67Y 0.8535
798 DBE 0.8530
799 AJY 0.8527
800 BPU 0.8527
801 DT9 0.8525
802 AUG 0.8519
803 JO5 0.8516
804 6TZ 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FUW; Ligand: THM; 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: 5fuw.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FUW; Ligand: THM; 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: 5fuw.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5FUW; Ligand: QBT; 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: 5fuw.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5FUW; Ligand: QBT; 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: 5fuw.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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