Receptor
PDB id Resolution Class Description Source Keywords
3B7J 2.4 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE(FABZ) FROM HELICOBACTER PYLORI COMPLEXED WITH J UGLONE HELICOBACTER PYLORI FABZ COMPLEX JUGLONE CYTOPLASM LIPID A BIOSYNTHESIS LIPID SYNTHESIS LYASE
Ref.: NATURAL PRODUCT JUGLONE TARGETS THREE KEY ENZYMES FROM HELICOBACTER PYLORI: INHIBITION ASSAY WITH CRYSTAL STRUCTURE CHARACTERIZATION ACTA PHARMACOL.SIN. V. 29 870 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEN A:161;
B:161;
B:162;
C:161;
E:161;
E:162;
F:161;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
120.152 C7 H8 N2 [H]/N...
CL A:160;
B:160;
C:160;
D:160;
E:160;
F:160;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
JUG B:163;
C:162;
 Valid;
Valid;
 none;
none;
 Ki = 6.8 uM
174.153 C10 H6 O3 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D04 2.4 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX W ITH SAKURANETIN HELICOBACTER PYLORI FABZ COMPLEX SAKURANETIN LYASE
Ref.: THREE FLAVONOIDS TARGETING THE BETA-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE FROM HELICOBACTER PYLORI: CRYSTAL STRUCTURE CHARACTERIZATION WITH ENZYMATIC INHIBITION ASSAY PROTEIN SCI. V. 17 1971 2008
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CF8 Ki = 12.7 uM QUE C15 H10 O7 c1cc(c(cc1....
2 3DOZ ic50 = 1.98 uM 3BE C14 H9 Br3 N2 O3 c1cc(cc(c1....
3 3ED0 Kd = 0.45 uM EMO C15 H10 O5 Cc1cc2c(c(....
4 3B7J Ki = 6.8 uM JUG C10 H6 O3 c1cc2c(c(c....
5 3DP3 ic50 = 1.52 uM 4BB C18 H18 Br2 N2 O3 CC(C)(C)c1....
6 3DP2 ic50 = 1.5 uM 4BE C14 H9 Br3 N2 O3 c1cc(ccc1C....
7 3DP1 ic50 = 9.92 uM 2RB C15 H12 Br2 N2 O4 COc1ccc(cc....
8 3D04 Ki = 0.9 uM SAK C16 H14 O5 COc1cc(c2c....
9 3DP0 ic50 = 1.42 uM 2BC C18 H12 Br2 N2 O3 c1ccc2cc(c....
10 3DOY ic50 = 1.52 uM 2BE C14 H9 Br2 Cl N2 O3 c1cc(ccc1C....
11 2GLP Ki = 9.7 uM BDE C13 H9 Br2 N3 O3 c1cc(cnc1)....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CF8 Ki = 12.7 uM QUE C15 H10 O7 c1cc(c(cc1....
2 3DOZ ic50 = 1.98 uM 3BE C14 H9 Br3 N2 O3 c1cc(cc(c1....
3 3ED0 Kd = 0.45 uM EMO C15 H10 O5 Cc1cc2c(c(....
4 3B7J Ki = 6.8 uM JUG C10 H6 O3 c1cc2c(c(c....
5 3DP3 ic50 = 1.52 uM 4BB C18 H18 Br2 N2 O3 CC(C)(C)c1....
6 3DP2 ic50 = 1.5 uM 4BE C14 H9 Br3 N2 O3 c1cc(ccc1C....
7 3DP1 ic50 = 9.92 uM 2RB C15 H12 Br2 N2 O4 COc1ccc(cc....
8 3D04 Ki = 0.9 uM SAK C16 H14 O5 COc1cc(c2c....
9 3DP0 ic50 = 1.42 uM 2BC C18 H12 Br2 N2 O3 c1ccc2cc(c....
10 3DOY ic50 = 1.52 uM 2BE C14 H9 Br2 Cl N2 O3 c1cc(ccc1C....
11 2GLP Ki = 9.7 uM BDE C13 H9 Br2 N3 O3 c1cc(cnc1)....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3CF8 Ki = 12.7 uM QUE C15 H10 O7 c1cc(c(cc1....
2 3DOZ ic50 = 1.98 uM 3BE C14 H9 Br3 N2 O3 c1cc(cc(c1....
3 3ED0 Kd = 0.45 uM EMO C15 H10 O5 Cc1cc2c(c(....
4 3B7J Ki = 6.8 uM JUG C10 H6 O3 c1cc2c(c(c....
5 3DP3 ic50 = 1.52 uM 4BB C18 H18 Br2 N2 O3 CC(C)(C)c1....
6 3DP2 ic50 = 1.5 uM 4BE C14 H9 Br3 N2 O3 c1cc(ccc1C....
7 3DP1 ic50 = 9.92 uM 2RB C15 H12 Br2 N2 O4 COc1ccc(cc....
8 3D04 Ki = 0.9 uM SAK C16 H14 O5 COc1cc(c2c....
9 3DP0 ic50 = 1.42 uM 2BC C18 H12 Br2 N2 O3 c1ccc2cc(c....
10 3DOY ic50 = 1.52 uM 2BE C14 H9 Br2 Cl N2 O3 c1cc(ccc1C....
11 2GLP Ki = 9.7 uM BDE C13 H9 Br2 N3 O3 c1cc(cnc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JUG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JUG 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JUG; Similar ligands found: 734
No: Ligand Similarity coefficient
1 G1O 1.0000
2 32X 0.9785
3 ISE 0.9767
4 3WA 0.9728
5 DPZ 0.9713
6 39A 0.9706
7 25W 0.9692
8 GLC 0.9690
9 G6D 0.9686
10 JBQ 0.9684
11 ZVO 0.9677
12 HZQ 0.9673
13 PYQ 0.9672
14 495 0.9669
15 MT0 0.9668
16 BGC 0.9660
17 PFB 0.9649
18 DHQ 0.9640
19 CFF 0.9632
20 37T 0.9609
21 G3F 0.9591
22 NTZ 0.9582
23 B60 0.9581
24 INS 0.9568
25 12B 0.9561
26 18N 0.9561
27 BCF 0.9552
28 TEP 0.9551
29 RXA 0.9547
30 G5V 0.9545
31 6F0 0.9539
32 JBH 0.9537
33 JPZ 0.9537
34 HFB 0.9535
35 NQ 0.9533
36 9KT 0.9531
37 ES1 0.9530
38 F5B 0.9529
39 1NP 0.9529
40 DQN 0.9527
41 GRE 0.9525
42 VK3 0.9523
43 4YS 0.9522
44 GCS 0.9518
45 5Q0 0.9517
46 XXR 0.9515
47 N5J 0.9515
48 HQY 0.9513
49 2ZV 0.9509
50 MAQ 0.9508
51 HLZ 0.9508
52 APZ 0.9507
53 GOG 0.9507
54 1LM 0.9506
55 FLV 0.9505
56 1LQ 0.9497
57 1SQ 0.9496
58 BBF 0.9495
59 PCI 0.9494
60 226 0.9493
61 24W 0.9490
62 NDM 0.9480
63 KJY 0.9480
64 EQT 0.9479
65 5SG 0.9478
66 5IQ 0.9474
67 EXO 0.9463
68 12Q 0.9461
69 5WX 0.9460
70 AJV 0.9455
71 3HA 0.9454
72 GAL 0.9454
73 8S0 0.9449
74 TTL 0.9447
75 FDB 0.9445
76 IBF 0.9442
77 LI6 0.9440
78 2ZQ 0.9437
79 HH8 0.9437
80 AZ9 0.9432
81 HQT 0.9431
82 TOF 0.9431
83 ADZ 0.9428
84 YSO 0.9428
85 JBK 0.9423
86 6M1 0.9416
87 4XH 0.9416
88 7ZE 0.9414
89 0P6 0.9412
90 UNC 0.9411
91 3F0 0.9409
92 HQD 0.9408
93 1XN 0.9408
94 B57 0.9406
95 7NI 0.9406
96 5QX 0.9402
97 PXL 0.9400
98 Q6T 0.9400
99 3M0 0.9394
100 PE0 0.9394
101 DBH 0.9393
102 3IT 0.9392
103 680 0.9390
104 8CM 0.9385
105 7B3 0.9383
106 PHH 0.9383
107 FE DB1 0.9379
108 5WY 0.9379
109 7W1 0.9378
110 0N7 0.9374
111 AZ8 0.9372
112 F3B 0.9369
113 AKH 0.9367
114 7B4 0.9365
115 9MG 0.9363
116 LGC 0.9360
117 3MA 0.9356
118 R8V 0.9355
119 SKA 0.9353
120 5CL 0.9348
121 7VS 0.9346
122 HJP 0.9344
123 HNQ 0.9341
124 CWS 0.9340
125 7HQ 0.9340
126 ADK 0.9340
127 BDP 0.9335
128 4HC 0.9334
129 KUF 0.9332
130 5RG 0.9328
131 Q24 0.9323
132 AQO 0.9321
133 FOT 0.9316
134 42C 0.9314
135 IJZ 0.9310
136 GIM 0.9310
137 MEW 0.9302
138 XAN 0.9302
139 BTE 0.9296
140 M5K 0.9294
141 AZA 0.9294
142 FUL 0.9292
143 GIO 0.9290
144 06B 0.9290
145 GUN 0.9290
146 I1N 0.9286
147 PHT 0.9286
148 AJ2 0.9284
149 TTY 0.9281
150 O72 0.9279
151 UAN 0.9278
152 DBJ 0.9278
153 5M0 0.9277
154 EA1 0.9277
155 4AN 0.9273
156 7VJ 0.9270
157 3RK 0.9267
158 6CS 0.9266
159 IGA 0.9265
160 M1A 0.9263
161 KJH 0.9259
162 ADE 0.9258
163 141 0.9253
164 PRF 0.9252
165 HHA 0.9250
166 67N 0.9247
167 8XQ 0.9245
168 I3A 0.9245
169 NTM 0.9244
170 3Z8 0.9243
171 RPQ 0.9240
172 EJZ 0.9240
173 AEZ 0.9240
174 SWD 0.9236
175 NID 0.9232
176 A7W 0.9230
177 MUA 0.9230
178 ISN 0.9227
179 SHG 0.9226
180 INE 0.9226
181 A2F 0.9225
182 SRO 0.9224
183 3MG 0.9224
184 Q7A 0.9223
185 SAL 0.9223
186 PQ0 0.9221
187 9DG 0.9220
188 GOX 0.9219
189 KKN 0.9218
190 CTS 0.9216
191 JBE 0.9215
192 QPR 0.9215
193 HPA 0.9215
194 6AP 0.9213
195 BE2 0.9212
196 KT7 0.9210
197 BP1 0.9210
198 GTQ 0.9209
199 MVL 0.9209
200 XYP 0.9208
201 SVN 0.9207
202 290 0.9206
203 54G 0.9204
204 C2U 0.9200
205 9HX 0.9198
206 TBS 0.9197
207 6MP 0.9195
208 9DA 0.9194
209 209 0.9193
210 JXN 0.9189
211 NOJ 0.9188
212 M0Q 0.9185
213 HTP 0.9183
214 H33 0.9182
215 DIN 0.9182
216 9TZ 0.9181
217 B53 0.9180
218 CFP 0.9180
219 AZG 0.9180
220 3U4 0.9180
221 B62 0.9179
222 2D0 0.9178
223 BEA 0.9178
224 ES6 0.9177
225 7WA 0.9175
226 5WV 0.9174
227 0W8 0.9170
228 BSP 0.9169
229 UQ 0.9169
230 RAM 0.9169
231 7W4 0.9168
232 LSA 0.9167
233 1U6 0.9167
234 7HP 0.9165
235 KLW 0.9164
236 4AA 0.9161
237 ES7 0.9160
238 M0W 0.9159
239 5RO 0.9159
240 E7Z 0.9156
241 X8D 0.9156
242 KBG 0.9155
243 Q88 0.9154
244 329 0.9153
245 4SV 0.9152
246 1WD 0.9149
247 YH7 0.9149
248 D07 0.9149
249 DX4 0.9148
250 GCB 0.9147
251 LKA 0.9147
252 XHP 0.9146
253 I6G 0.9145
254 M1Q 0.9144
255 MRW 0.9144
256 1KP 0.9143
257 M6N 0.9143
258 JKE 0.9142
259 5NE 0.9142
260 K17 0.9139
261 DRL 0.9139
262 ES0 0.9138
263 FBG 0.9137
264 92K 0.9136
265 10L 0.9136
266 X05 0.9134
267 J9W 0.9133
268 F05 0.9131
269 QX2 0.9130
270 M1H 0.9130
271 NPY 0.9126
272 CLZ 0.9126
273 FBT 0.9124
274 6BL 0.9121
275 5RN 0.9120
276 MT5 0.9120
277 9EW 0.9120
278 7WV 0.9120
279 1XM 0.9119
280 AIN 0.9118
281 QUZ 0.9118
282 5MK 0.9118
283 VNL 0.9116
284 PM6 0.9112
285 KFH 0.9111
286 ES4 0.9110
287 OA3 0.9109
288 MT8 0.9108
289 4MU 0.9106
290 CWM 0.9104
291 44W 0.9104
292 LXC 0.9096
293 GYE 0.9094
294 0FO 0.9093
295 MO8 0.9089
296 PX7 0.9080
297 3C1 0.9077
298 5NS 0.9077
299 DIU 0.9073
300 DQU 0.9073
301 2EC 0.9072
302 BOA 0.9072
303 UEG 0.9069
304 2AK 0.9069
305 GTZ 0.9069
306 SX1 0.9068
307 ASC 0.9065
308 3PF 0.9063
309 G3E 0.9061
310 SWA 0.9060
311 GLA 0.9058
312 EVA 0.9058
313 0CU 0.9058
314 86J 0.9058
315 KYD 0.9056
316 IV2 0.9056
317 SOR 0.9054
318 LT2 0.9054
319 23A 0.9054
320 OTW 0.9051
321 X09 0.9050
322 URC 0.9049
323 3FH 0.9048
324 JXW 0.9046
325 4ME 0.9044
326 6M9 0.9041
327 F0J 0.9037
328 2FQ 0.9037
329 JIF 0.9036
330 SE2 0.9035
331 N8Y 0.9034
332 1WG 0.9034
333 EYK 0.9031
334 ALL 0.9028
335 K6X 0.9027
336 M2K 0.9026
337 3GQ 0.9025
338 ICO 0.9025
339 HLR 0.9023
340 HH5 0.9022
341 RNS 0.9019
342 44V 0.9019
343 0RW 0.9014
344 BNT 0.9014
345 GCU 0.9011
346 3C2 0.9010
347 1P7 0.9009
348 MBG 0.9009
349 6M4 0.9006
350 5CU 0.9003
351 DNF 0.8997
352 XQ0 0.8997
353 RM4 0.8996
354 MFB 0.8995
355 28N 0.8993
356 MZB 0.8990
357 2H5 0.8990
358 PXM 0.8990
359 GCW 0.8990
360 B55 0.8986
361 JFD 0.8984
362 5QY 0.8983
363 GJS 0.8983
364 4Z4 0.8983
365 LZM 0.8982
366 XYS 0.8981
367 QAT 0.8980
368 QBK 0.8980
369 PEY 0.8980
370 SXS 0.8980
371 MVN 0.8980
372 NDH 0.8979
373 COU 0.8979
374 D48 0.8979
375 6ME 0.8978
376 GM7 0.8978
377 2KA 0.8978
378 BMA 0.8976
379 Q77 0.8976
380 UFO 0.8974
381 BTY 0.8974
382 7WR 0.8971
383 0FN 0.8970
384 SYA 0.8968
385 3ID 0.8968
386 SOE 0.8967
387 03V 0.8966
388 5NU 0.8965
389 DMD 0.8962
390 2CK 0.8961
391 KIB 0.8960
392 JU2 0.8959
393 Z5P 0.8957
394 8TX 0.8956
395 2CQ 0.8955
396 FUC 0.8954
397 1GN 0.8954
398 FCB 0.8953
399 6GU 0.8952
400 BCP 0.8952
401 BHO 0.8952
402 149 0.8952
403 75K 0.8951
404 FA0 0.8949
405 150 0.8947
406 GTR 0.8943
407 OCH 0.8942
408 BHA 0.8941
409 M1E 0.8940
410 G12 0.8940
411 DNC 0.8940
412 QAS 0.8940
413 V55 0.8939
414 GDE 0.8938
415 DOB 0.8938
416 QX4 0.8937
417 MAN 0.8935
418 GZ8 0.8934
419 KGK 0.8932
420 AMG 0.8931
421 PBR 0.8929
422 2AQ 0.8927
423 HKD 0.8925
424 42A 0.8924
425 AJY 0.8921
426 MXX 0.8920
427 5B1 0.8920
428 L7T 0.8919
429 39O 0.8919
430 23J 0.8918
431 4M0 0.8918
432 8IG 0.8918
433 JB5 0.8918
434 ASO 0.8917
435 4M4 0.8917
436 WOO 0.8914
437 J5I 0.8913
438 2LY 0.8911
439 ES5 0.8910
440 ZYR 0.8910
441 ZZ8 0.8909
442 2HQ 0.8908
443 ORO 0.8907
444 CTL 0.8907
445 7MH 0.8905
446 SJ5 0.8903
447 GXY 0.8902
448 F12 0.8901
449 4FS 0.8900
450 82I 0.8899
451 JKZ 0.8894
452 DHK 0.8891
453 HHR 0.8890
454 35C 0.8889
455 AHR 0.8889
456 ZWZ 0.8888
457 KIA 0.8886
458 OXC 0.8886
459 5JQ 0.8881
460 RM1 0.8881
461 5OB 0.8880
462 XQG 0.8877
463 T6C 0.8877
464 3DM 0.8875
465 SHA 0.8875
466 GLT 0.8873
467 8GC 0.8872
468 948 0.8871
469 MMA 0.8870
470 FUF 0.8870
471 PH2 0.8869
472 4KL 0.8867
473 XAZ 0.8866
474 LDR 0.8865
475 SYV 0.8862
476 K5W 0.8861
477 92P 0.8860
478 IBM 0.8859
479 YQA 0.8859
480 C2Y 0.8857
481 45C 0.8856
482 1X7 0.8855
483 2FG 0.8855
484 6AI 0.8852
485 6VD 0.8847
486 TIY 0.8846
487 DBX 0.8845
488 D3M 0.8844
489 GCV 0.8839
490 2MN 0.8838
491 HXX 0.8834
492 H42 0.8833
493 K8X 0.8828
494 DIE 0.8828
495 3DO 0.8828
496 0TR 0.8826
497 BZX 0.8822
498 4NC 0.8821
499 MWP 0.8820
500 F1A 0.8818
501 9AP 0.8815
502 5WU 0.8813
503 F81 0.8810
504 MFU 0.8810
505 3TJ 0.8807
506 FCA 0.8806
507 LZ2 0.8806
508 APS 0.8804
509 5JL 0.8802
510 8WT 0.8801
511 FSW 0.8801
512 NOY 0.8799
513 X6X 0.8790
514 NVU 0.8790
515 ROI 0.8790
516 4CS 0.8787
517 GZL 0.8785
518 9FL 0.8785
519 3NT 0.8785
520 GT0 0.8784
521 0MK 0.8782
522 14O 0.8781
523 YIO 0.8780
524 VNJ 0.8780
525 60P 0.8780
526 TC7 0.8778
527 4JQ 0.8777
528 173 0.8776
529 FB1 0.8776
530 IFL 0.8774
531 4TU 0.8772
532 7CZ 0.8772
533 3R6 0.8769
534 0JD 0.8766
535 BK9 0.8763
536 FBV 0.8762
537 GIV 0.8762
538 MS9 0.8761
539 ARP 0.8761
540 ARB 0.8760
541 F4Z 0.8759
542 JG8 0.8759
543 1DW 0.8757
544 BPU 0.8756
545 KJU 0.8755
546 F60 0.8755
547 5MB 0.8753
548 Q71 0.8753
549 K22 0.8752
550 5H1 0.8750
551 FGZ 0.8749
552 L3Q 0.8749
553 GV9 0.8747
554 8GK 0.8747
555 MQN 0.8747
556 PDC 0.8747
557 E7R 0.8745
558 K32 0.8745
559 3AB 0.8745
560 9PY 0.8744
561 3HB 0.8744
562 HA7 0.8742
563 FDR 0.8741
564 64C 0.8741
565 FYU 0.8740
566 53C 0.8740
567 ENL 0.8738
568 G2F 0.8735
569 GAB 0.8735
570 3MB 0.8733
571 DFB 0.8733
572 GOO 0.8732
573 2K4 0.8729
574 QWN 0.8727
575 5HN 0.8727
576 7ME 0.8725
577 XX2 0.8724
578 3Z7 0.8722
579 5MI 0.8720
580 QSH 0.8719
581 AW5 0.8719
582 OVV 0.8717
583 JYB 0.8717
584 JND 0.8716
585 0F9 0.8715
586 BZ3 0.8715
587 MYJ 0.8715
588 B5D 0.8713
589 GTL 0.8711
590 4A3 0.8708
591 BZF 0.8708
592 DEN 0.8708
593 1U1 0.8706
594 FDK 0.8705
595 H6B 0.8704
596 4JP 0.8702
597 KIF 0.8701
598 INO 0.8701
599 DHB 0.8700
600 QWW 0.8699
601 IDM 0.8699
602 IND 0.8698
603 NNO 0.8697
604 4JT 0.8696
605 0TU 0.8696
606 PRZ 0.8696
607 0CT 0.8695
608 BZI 0.8694
609 TH7 0.8692
610 PA1 0.8690
611 8HC 0.8689
612 DOR 0.8687
613 4PW 0.8687
614 JAE 0.8685
615 JTH 0.8684
616 ES9 0.8684
617 GSY 0.8681
618 CN0 0.8679
619 GVH 0.8676
620 MBD 0.8674
621 537 0.8674
622 2HO 0.8674
623 1IT 0.8672
624 P3K 0.8670
625 D1X 0.8670
626 GYP 0.8669
627 TFU 0.8669
628 FHB 0.8669
629 8W9 0.8668
630 WCE 0.8667
631 93K 0.8666
632 4YO 0.8666
633 P9P 0.8663
634 FLM 0.8661
635 3BZ 0.8661
636 ADA 0.8660
637 XM5 0.8660
638 3HM 0.8658
639 E3D 0.8657
640 J9Q 0.8656
641 97T 0.8656
642 MPI 0.8656
643 0R1 0.8656
644 3MC 0.8654
645 DMJ 0.8654
646 GAG 0.8652
647 3FA 0.8651
648 MSN 0.8650
649 TBP 0.8650
650 4RU 0.8650
651 EKZ 0.8649
652 11S 0.8648
653 GAF 0.8648
654 GMN 0.8647
655 PYG 0.8647
656 9CA 0.8644
657 IPZ 0.8644
658 270 0.8642
659 AA 0.8641
660 FFP 0.8640
661 LCN 0.8638
662 ABV 0.8637
663 GLF 0.8636
664 LZ1 0.8636
665 AX7 0.8631
666 0FK 0.8631
667 BRT 0.8630
668 AZF 0.8630
669 2C9 0.8629
670 JXZ 0.8626
671 12M 0.8625
672 NK 0.8625
673 39U 0.8624
674 5GU 0.8621
675 4VS 0.8621
676 KJ5 0.8620
677 FHN 0.8620
678 3SK 0.8620
679 3XX 0.8615
680 HMH 0.8613
681 IFM 0.8612
682 2MY 0.8610
683 H4N 0.8609
684 0XT 0.8608
685 C9E 0.8607
686 091 0.8607
687 ARA 0.8607
688 4ZC 0.8606
689 M5N 0.8606
690 MCT 0.8605
691 260 0.8605
692 8H8 0.8602
693 15E 0.8602
694 MWM 0.8601
695 QXW 0.8601
696 DNA 0.8600
697 1HN 0.8600
698 3MH 0.8594
699 KYA 0.8592
700 FK1 0.8592
701 OMD 0.8591
702 JZ3 0.8589
703 3CE 0.8587
704 GXL 0.8587
705 MIG 0.8586
706 CHB 0.8586
707 9TW 0.8586
708 URF 0.8584
709 WBU 0.8584
710 H5B 0.8581
711 DEE 0.8580
712 4ZE 0.8579
713 FH2 0.8578
714 QSB 0.8577
715 NMJ 0.8576
716 XBZ 0.8575
717 FBB 0.8575
718 2CM 0.8575
719 RHU 0.8574
720 6KX 0.8573
721 DUB 0.8570
722 4XV 0.8570
723 HMU 0.8569
724 2AC 0.8564
725 ANF 0.8563
726 JZ9 0.8560
727 CBF 0.8558
728 IPB 0.8550
729 TWO 0.8543
730 TDR 0.8538
731 582 0.8535
732 3J8 0.8532
733 XM0 0.8530
734 M3S 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3D04; Ligand: SAK; 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: 3d04.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3D04; Ligand: SAK; 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: 3d04.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback