Receptor
PDB id Resolution Class Description Source Keywords
4LV4 2.08 Å EC: 4.1.2.13 A NONCOMPETITIVE INHIBITOR FOR M. TUBERCULOSIS'S CLASS IIA F 6-BISPHOSPHATE ALDOLASE MYCOBACTERIUM TUBERCULOSIS CLASS II FRUCTOSE-1 6-BISPHOSPHATE ALDOLASE ZINC ENZYME MYCOBACTERIUM TUBERCULOSIS DIHYDROXYACETONE GLYCERALDEHYDPHOSPHATE ALDOL CONDENSATION GLYCOLYSIS LYASE METAL-BINHYDROXYQUINOLINE-2-CARBOXYLIC ACID LYASE-LYASE INHIBITOR C
Ref.: A NONCOMPETITIVE INHIBITOR FOR MYCOBACTERIUM TUBERC CLASS IIA FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE. BIOCHEMISTRY V. 53 202 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8HC A:403;
 Valid;
 none;
 Kd = 9.39 uM
189.167 C10 H7 N O3 c1cc2...
ZN A:401;
A:402;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
ACT A:404;
A:405;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
1PE A:406;
 Invalid;
 none;
 submit data
238.278 C10 H22 O6 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4A22 1.9 Å EC: 4.1.2.13 STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FRUCTOSE 1,6-BISPHOS ALDOLASE BOUND TO N-(4-HYDROXYBUTYL)- GLYCOLOHYDROXAMIC ACIP HOSPHATE MYCOBACTERIUM TUBERCULOSIS LYASE LYASE-INHIBITOR COMPLEX
Ref.: GLYCOLYTIC AND NON-GLYCOLYTIC FUNCTIONS OF MYCOBACT TUBERCULOSIS FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE, AN ESSENTIAL ENZYME PRODUCED BY REPLICATING AND NON-RE BACILLI. J. BIOL. CHEM. V. 286 40219 2011
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3EKL - 13P C3 H7 O6 P C(C(=O)COP....
2 3EKZ - G3P C3 H9 O6 P C([C@H](CO....
3 4LV4 Kd = 9.39 uM 8HC C10 H7 N O3 c1cc2ccc(n....
4 4A22 Kd = 6.8 nM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
5 4DEL Kd = 21.1 nM PGH C2 H6 N O6 P C(C(=O)NO)....
6 3ELF - 2FP C6 H14 O12 P2 C([C@H]([C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3EKL - 13P C3 H7 O6 P C(C(=O)COP....
2 3EKZ - G3P C3 H9 O6 P C([C@H](CO....
3 4LV4 Kd = 9.39 uM 8HC C10 H7 N O3 c1cc2ccc(n....
4 4A22 Kd = 6.8 nM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
5 4DEL Kd = 21.1 nM PGH C2 H6 N O6 P C(C(=O)NO)....
6 3ELF - 2FP C6 H14 O12 P2 C([C@H]([C....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5VJD - 13P C3 H7 O6 P C(C(=O)COP....
2 5VJE Ki = 60 uM GOS C6 H16 O12 P2 C([C@H]([C....
3 1B57 - PGH C2 H6 N O6 P C(C(=O)NO)....
4 3EKL - 13P C3 H7 O6 P C(C(=O)COP....
5 3EKZ - G3P C3 H9 O6 P C([C@H](CO....
6 4LV4 Kd = 9.39 uM 8HC C10 H7 N O3 c1cc2ccc(n....
7 4A22 Kd = 6.8 nM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
8 4DEL Kd = 21.1 nM PGH C2 H6 N O6 P C(C(=O)NO)....
9 3ELF - 2FP C6 H14 O12 P2 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8HC; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 8HC 1 1
2 0FK 0.673913 0.705882
3 0P6 0.469388 0.647059
4 4KL 0.461538 0.928571
5 59Y 0.428571 0.75
6 WG8 0.415385 0.604651
Similar Ligands (3D)
Ligand no: 1; Ligand: 8HC; Similar ligands found: 999
No: Ligand Similarity coefficient
1 2K8 0.9883
2 ZYR 0.9840
3 N8Y 0.9754
4 E1T 0.9741
5 HHS 0.9735
6 15N 0.9726
7 ESI 0.9725
8 0JD 0.9718
9 DNF 0.9713
10 HA5 0.9705
11 SLS 0.9682
12 KTW 0.9659
13 V1T 0.9646
14 5RO 0.9625
15 FDR 0.9611
16 UFO 0.9599
17 9ZE 0.9597
18 PH2 0.9595
19 HHR 0.9593
20 BEA 0.9587
21 9FE 0.9583
22 M2K 0.9576
23 B56 0.9565
24 BZJ 0.9554
25 5TY 0.9536
26 VXX 0.9536
27 JG8 0.9535
28 KYA 0.9528
29 0HN 0.9508
30 TTY 0.9504
31 30G 0.9503
32 0HO 0.9502
33 PEY 0.9495
34 ICO 0.9495
35 6NT 0.9493
36 6QF 0.9489
37 1F1 0.9475
38 N0Z 0.9467
39 8ZE 0.9467
40 1HN 0.9466
41 JAW 0.9459
42 GJP 0.9458
43 2HU 0.9455
44 5RN 0.9454
45 GO2 0.9450
46 3NY 0.9447
47 9CA 0.9447
48 6KT 0.9446
49 JF1 0.9445
50 92P 0.9440
51 C2Y 0.9439
52 ANC 0.9437
53 2ZM 0.9435
54 8WT 0.9434
55 2O6 0.9432
56 9FL 0.9431
57 4RU 0.9429
58 3J8 0.9428
59 1IT 0.9427
60 344 0.9426
61 DNC 0.9424
62 PRF 0.9423
63 12T 0.9423
64 3A9 0.9422
65 BPY 0.9420
66 6ME 0.9417
67 9R5 0.9416
68 5NI 0.9414
69 CH9 0.9411
70 CWS 0.9410
71 JF2 0.9406
72 N2I 0.9406
73 2KA 0.9406
74 JB8 0.9405
75 ABI 0.9400
76 27B 0.9399
77 537 0.9398
78 6NI 0.9397
79 JDN 0.9392
80 KUF 0.9382
81 ANF 0.9381
82 3VX 0.9379
83 68A 0.9377
84 NID 0.9376
85 K97 0.9376
86 8W9 0.9374
87 KDV 0.9373
88 4TU 0.9370
89 AA 0.9367
90 7I2 0.9366
91 2LY 0.9365
92 N91 0.9365
93 2HC 0.9365
94 44V 0.9364
95 N1E 0.9364
96 ESX 0.9363
97 M4E 0.9362
98 5VL 0.9359
99 2FQ 0.9357
100 ESP 0.9348
101 SG2 0.9347
102 DQU 0.9347
103 BZ2 0.9344
104 QX4 0.9344
105 AN3 0.9344
106 8XL 0.9343
107 TWO 0.9338
108 5NE 0.9335
109 JP2 0.9334
110 AY4 0.9333
111 DRG 0.9333
112 GNM 0.9332
113 3Z8 0.9330
114 MD6 0.9328
115 PDC 0.9324
116 28N 0.9321
117 8CM 0.9317
118 PD2 0.9316
119 GHM 0.9313
120 DNA 0.9313
121 ZSP 0.9313
122 SKF 0.9310
123 BDP 0.9310
124 5NS 0.9308
125 44W 0.9307
126 XHP 0.9303
127 LZ2 0.9298
128 B62 0.9297
129 VNL 0.9296
130 TSS 0.9295
131 0W1 0.9292
132 PJW 0.9290
133 CKA 0.9288
134 0FO 0.9286
135 H4B 0.9284
136 5WY 0.9284
137 AJV 0.9278
138 THA 0.9271
139 DPT 0.9271
140 4BL 0.9270
141 CLZ 0.9269
142 N7I 0.9268
143 5WU 0.9268
144 OTW 0.9263
145 54X 0.9262
146 0F9 0.9261
147 IAC 0.9260
148 61M 0.9260
149 8WO 0.9260
150 ICB 0.9259
151 2BG 0.9257
152 2HQ 0.9255
153 92K 0.9245
154 H5B 0.9245
155 A29 0.9244
156 4JQ 0.9243
157 86J 0.9240
158 INE 0.9236
159 1A7 0.9235
160 209 0.9235
161 PQ0 0.9235
162 5OB 0.9235
163 JLZ 0.9235
164 MVN 0.9230
165 F31 0.9229
166 BK9 0.9226
167 7MX 0.9225
168 2JK 0.9223
169 EXD 0.9221
170 GCS 0.9221
171 MAQ 0.9220
172 QPR 0.9219
173 DPZ 0.9219
174 HBI 0.9218
175 15L 0.9216
176 94W 0.9215
177 I3A 0.9215
178 9UL 0.9215
179 Z5P 0.9214
180 BGC 0.9212
181 9AP 0.9211
182 BIO 0.9210
183 B21 0.9210
184 APS 0.9209
185 BZ3 0.9208
186 B60 0.9208
187 UNJ 0.9207
188 0N7 0.9206
189 8NX 0.9206
190 4ME 0.9205
191 ARP 0.9205
192 QMS 0.9204
193 R9Y 0.9203
194 5XC 0.9202
195 DHB 0.9202
196 IV2 0.9201
197 DIN 0.9200
198 LDR 0.9198
199 IOS 0.9198
200 MB1 0.9195
201 INO 0.9193
202 BIK 0.9192
203 G3F 0.9192
204 NNO 0.9188
205 9KT 0.9185
206 MQN 0.9182
207 JND 0.9182
208 APZ 0.9180
209 6VD 0.9180
210 GVG 0.9180
211 97T 0.9179
212 X0U 0.9177
213 UAN 0.9177
214 AMR 0.9177
215 6BL 0.9176
216 FF2 0.9176
217 BZE 0.9176
218 SRO 0.9175
219 MSR 0.9173
220 M6Z 0.9173
221 6R8 0.9171
222 7B3 0.9170
223 FHB 0.9170
224 7VS 0.9169
225 3R6 0.9169
226 TIY 0.9168
227 PPY 0.9166
228 MRW 0.9166
229 LI6 0.9166
230 428 0.9165
231 TTL 0.9164
232 H33 0.9163
233 NAG 0.9163
234 M78 0.9162
235 0TU 0.9162
236 E7Z 0.9162
237 8G0 0.9162
238 BCU 0.9161
239 DK1 0.9161
240 XIY 0.9161
241 TOF 0.9160
242 S60 0.9159
243 OCH 0.9159
244 7ZE 0.9159
245 X8D 0.9157
246 8XQ 0.9155
247 TT4 0.9155
248 J9Q 0.9153
249 E1K 0.9152
250 12Q 0.9150
251 ZHA 0.9149
252 1VK 0.9148
253 S0E 0.9147
254 M0W 0.9145
255 39O 0.9144
256 4I8 0.9144
257 3ZB 0.9144
258 LL1 0.9143
259 4BY 0.9141
260 42A 0.9140
261 HNQ 0.9140
262 HQD 0.9138
263 4A3 0.9138
264 6TZ 0.9138
265 4LW 0.9137
266 HKD 0.9137
267 AZ9 0.9137
268 EA1 0.9136
269 7HQ 0.9135
270 COU 0.9135
271 RM1 0.9133
272 MUA 0.9131
273 1P7 0.9131
274 GZ2 0.9130
275 4YO 0.9129
276 KTJ 0.9128
277 F9Y 0.9126
278 KT7 0.9126
279 C9E 0.9126
280 GCU 0.9123
281 CWJ 0.9121
282 CHB 0.9121
283 1KP 0.9119
284 2AQ 0.9117
285 3PF 0.9117
286 GAL 0.9117
287 ES5 0.9116
288 7W1 0.9115
289 JB5 0.9115
290 N2M 0.9114
291 4M4 0.9113
292 4Z4 0.9113
293 CK2 0.9111
294 1L5 0.9110
295 03V 0.9109
296 M1H 0.9109
297 ONR 0.9108
298 AJY 0.9108
299 4FS 0.9108
300 E7S 0.9107
301 173 0.9106
302 BGU 0.9105
303 X11 0.9104
304 GO8 0.9104
305 JTH 0.9104
306 52C 0.9103
307 4AB 0.9102
308 6FZ 0.9102
309 J9W 0.9100
310 EN1 0.9100
311 3QV 0.9099
312 GLC 0.9099
313 4NC 0.9098
314 5QX 0.9097
315 93K 0.9096
316 HNT 0.9096
317 2EC 0.9095
318 MAJ 0.9094
319 3HM 0.9094
320 A7H 0.9093
321 2ZQ 0.9092
322 8S0 0.9091
323 ZME 0.9091
324 BPU 0.9091
325 5GT 0.9091
326 A7W 0.9090
327 7WR 0.9089
328 GDE 0.9089
329 H42 0.9088
330 FLV 0.9085
331 H2B 0.9084
332 LDP 0.9081
333 HBO 0.9080
334 X48 0.9079
335 SKA 0.9079
336 MYJ 0.9079
337 HQT 0.9079
338 2FY 0.9078
339 NLA 0.9078
340 ZYQ 0.9077
341 5QY 0.9075
342 Q71 0.9075
343 G12 0.9074
344 363 0.9074
345 8NB 0.9074
346 8MO 0.9073
347 3R4 0.9072
348 4WL 0.9071
349 1M2 0.9068
350 IL5 0.9066
351 JYB 0.9066
352 226 0.9066
353 M1Q 0.9065
354 V55 0.9064
355 0BP 0.9064
356 KJU 0.9062
357 AX3 0.9062
358 GF4 0.9060
359 D48 0.9056
360 MEW 0.9055
361 2HO 0.9054
362 G1P 0.9054
363 4AA 0.9053
364 1QP 0.9051
365 AZ8 0.9051
366 0XT 0.9051
367 DEE 0.9050
368 P9P 0.9047
369 LZM 0.9047
370 TSR 0.9044
371 2AK 0.9044
372 N3W 0.9042
373 PE0 0.9042
374 774 0.9041
375 Q6T 0.9038
376 2D0 0.9038
377 SNU 0.9037
378 WSD 0.9037
379 5V7 0.9037
380 QSB 0.9036
381 3Y7 0.9034
382 HQJ 0.9033
383 URC 0.9033
384 RXA 0.9032
385 15E 0.9031
386 6FB 0.9031
387 505 0.9030
388 P7Y 0.9029
389 TMG 0.9029
390 M6N 0.9028
391 AQO 0.9028
392 G3E 0.9027
393 L22 0.9027
394 SKM 0.9027
395 CPZ 0.9026
396 BA5 0.9023
397 FQX 0.9023
398 P9E 0.9022
399 SYV 0.9022
400 K68 0.9021
401 J6W 0.9016
402 7O4 0.9015
403 K3Q 0.9013
404 9TW 0.9011
405 SOR 0.9010
406 HLZ 0.9010
407 0FR 0.9010
408 MS9 0.9009
409 F12 0.9008
410 BQ2 0.9008
411 JR2 0.9008
412 TGX 0.9007
413 PXL 0.9007
414 4HC 0.9006
415 42C 0.9004
416 VK3 0.9003
417 QIV 0.9003
418 R2P 0.9002
419 NQ 0.9001
420 PIM 0.9001
421 AJ2 0.9000
422 IHB 0.8999
423 7NI 0.8999
424 JU2 0.8999
425 B5D 0.8998
426 M1E 0.8998
427 F4E 0.8998
428 M5K 0.8997
429 KJH 0.8994
430 J5I 0.8994
431 LIP 0.8993
432 5WT 0.8993
433 EUE 0.8991
434 MR1 0.8990
435 PIY 0.8990
436 EVF 0.8989
437 EVA 0.8988
438 BP7 0.8987
439 7AP 0.8986
440 OQC 0.8986
441 3MB 0.8985
442 TZF 0.8985
443 OVM 0.8982
444 8TX 0.8982
445 4P5 0.8981
446 LQ2 0.8980
447 Q24 0.8980
448 SE2 0.8979
449 20J 0.8979
450 BNL 0.8976
451 6RQ 0.8974
452 A5E 0.8973
453 ODO 0.8973
454 R20 0.8972
455 4NO 0.8971
456 XDK 0.8971
457 LT2 0.8970
458 6DP 0.8970
459 37T 0.8969
460 TYL 0.8968
461 5LA 0.8968
462 2FX 0.8967
463 SNO 0.8966
464 4MU 0.8965
465 GXY 0.8964
466 B57 0.8964
467 SHA 0.8963
468 CWM 0.8963
469 K25 0.8960
470 AKH 0.8960
471 OA3 0.8960
472 XX2 0.8959
473 XAZ 0.8959
474 NVU 0.8959
475 IWT 0.8958
476 TQU 0.8958
477 G14 0.8957
478 R6T 0.8956
479 4AN 0.8956
480 Q77 0.8955
481 F2W 0.8954
482 TCA 0.8954
483 36E 0.8951
484 CTL 0.8951
485 FBB 0.8949
486 MOK 0.8949
487 FDB 0.8947
488 54G 0.8944
489 75K 0.8944
490 L5V 0.8943
491 GTR 0.8943
492 LGC 0.8941
493 TCR 0.8941
494 KMY 0.8941
495 NDH 0.8940
496 PYQ 0.8940
497 5B1 0.8940
498 5WX 0.8940
499 YZM 0.8938
500 2GQ 0.8938
501 DRL 0.8938
502 BTY 0.8938
503 4NB 0.8935
504 XQ0 0.8934
505 GTQ 0.8932
506 3IT 0.8931
507 4VS 0.8931
508 NDG 0.8927
509 HX4 0.8927
510 FA0 0.8927
511 XCG 0.8927
512 F0J 0.8927
513 BHQ 0.8925
514 NDM 0.8925
515 Y3L 0.8924
516 EOL 0.8924
517 9MG 0.8923
518 67X 0.8922
519 2D3 0.8922
520 7FF 0.8921
521 QBK 0.8921
522 IBM 0.8921
523 MHK 0.8920
524 QSH 0.8919
525 0FN 0.8917
526 CXH 0.8915
527 GV9 0.8913
528 N2Z 0.8912
529 1Z6 0.8912
530 NPA 0.8912
531 X0V 0.8911
532 4JT 0.8911
533 ST3 0.8911
534 HJH 0.8910
535 TEP 0.8910
536 5GV 0.8909
537 EYV 0.8908
538 ROI 0.8908
539 CHQ 0.8908
540 XQG 0.8907
541 SHG 0.8906
542 Q7A 0.8906
543 5GU 0.8905
544 DHK 0.8904
545 NOJ 0.8904
546 IQ5 0.8902
547 HIS 0.8902
548 ITE 0.8901
549 K2T 0.8901
550 EMZ 0.8900
551 NTZ 0.8899
552 G6P 0.8899
553 FHC 0.8898
554 MXD 0.8898
555 AP4 0.8898
556 MNS 0.8898
557 HLD 0.8896
558 K44 0.8896
559 NCT 0.8895
560 6CS 0.8895
561 HC4 0.8895
562 EV2 0.8893
563 FGZ 0.8892
564 ES0 0.8892
565 0GZ 0.8892
566 LEL 0.8891
567 H7Y 0.8889
568 B55 0.8888
569 Q88 0.8888
570 XFE 0.8888
571 XM5 0.8887
572 5RG 0.8887
573 4V2 0.8886
574 OW4 0.8884
575 AC2 0.8883
576 4HM 0.8883
577 DHY 0.8881
578 22L 0.8880
579 549 0.8878
580 PRZ 0.8878
581 DX3 0.8878
582 E35 0.8876
583 MWP 0.8875
584 3MG 0.8875
585 4ZA 0.8873
586 NIZ 0.8873
587 3VQ 0.8873
588 PNZ 0.8872
589 ZEC 0.8872
590 PBA 0.8870
591 RD4 0.8869
592 GCB 0.8869
593 GZL 0.8869
594 OW7 0.8868
595 5M0 0.8868
596 PQK 0.8866
597 EUG 0.8861
598 5MK 0.8860
599 CSN 0.8860
600 64C 0.8860
601 MQB 0.8860
602 PLP 0.8859
603 KGK 0.8859
604 8IG 0.8858
605 680 0.8857
606 PMP 0.8857
607 692 0.8857
608 6ZW 0.8856
609 KYN 0.8856
610 091 0.8856
611 F5C 0.8856
612 CIY 0.8855
613 R8V 0.8854
614 STT 0.8854
615 MPV 0.8853
616 HRM 0.8851
617 36Y 0.8851
618 7B4 0.8850
619 LNR 0.8850
620 EGR 0.8850
621 K32 0.8850
622 5F5 0.8849
623 FOT 0.8849
624 SX1 0.8848
625 5WV 0.8847
626 4M0 0.8847
627 ANN 0.8846
628 JY4 0.8845
629 DOB 0.8844
630 OMD 0.8844
631 ABF 0.8844
632 EWG 0.8844
633 5VJ 0.8843
634 5CU 0.8843
635 K22 0.8843
636 TXW 0.8842
637 KLK 0.8842
638 3DM 0.8841
639 D07 0.8840
640 WS7 0.8840
641 QBM 0.8837
642 ZZA 0.8836
643 BHA 0.8835
644 LKA 0.8834
645 7ME 0.8833
646 MNP 0.8833
647 4XV 0.8832
648 ZVO 0.8830
649 QQQ 0.8830
650 1QV 0.8829
651 KKN 0.8826
652 OVP 0.8825
653 3GQ 0.8821
654 DBJ 0.8821
655 NBG 0.8820
656 CFI 0.8818
657 D3G 0.8817
658 ES2 0.8817
659 8GK 0.8815
660 CFF 0.8814
661 2H5 0.8813
662 I6G 0.8810
663 57O 0.8809
664 SYA 0.8809
665 28S 0.8809
666 5JQ 0.8808
667 I4D 0.8808
668 M3E 0.8807
669 ET2 0.8807
670 DHC 0.8806
671 0W8 0.8806
672 E5X 0.8805
673 TRP 0.8803
674 5NU 0.8802
675 O2A 0.8801
676 ALE 0.8801
677 PO6 0.8801
678 Q02 0.8800
679 9TZ 0.8800
680 EKZ 0.8799
681 1P8 0.8799
682 BHO 0.8798
683 F6P 0.8798
684 PH3 0.8797
685 CLW 0.8795
686 8G6 0.8794
687 ABV 0.8794
688 H4E 0.8794
689 JTA 0.8794
690 4XS 0.8793
691 AZM 0.8793
692 AMQ 0.8793
693 069 0.8792
694 PUE 0.8792
695 5JL 0.8791
696 SXS 0.8790
697 RNO 0.8790
698 PRL 0.8790
699 L7T 0.8789
700 1XA 0.8787
701 SQ4 0.8786
702 4SX 0.8785
703 1WC 0.8784
704 JBZ 0.8783
705 ISZ 0.8783
706 KJ5 0.8783
707 2F6 0.8783
708 LAO 0.8782
709 36R 0.8781
710 32X 0.8780
711 ZON 0.8780
712 ISN 0.8779
713 582 0.8778
714 7MU 0.8778
715 DDU 0.8778
716 VM1 0.8777
717 OTR 0.8776
718 5OF 0.8776
719 7VP 0.8776
720 MPK 0.8775
721 UNC 0.8775
722 FE DB1 0.8775
723 ES7 0.8774
724 W81 0.8773
725 GVY 0.8773
726 ENO 0.8773
727 II4 0.8772
728 XDE 0.8772
729 KJY 0.8771
730 MS0 0.8771
731 BHS 0.8769
732 96U 0.8768
733 IPD 0.8768
734 5OO 0.8766
735 ODK 0.8765
736 GNV 0.8765
737 NQH 0.8765
738 NGA 0.8763
739 L46 0.8763
740 49O 0.8762
741 OTD 0.8762
742 EE8 0.8761
743 2CZ 0.8760
744 2QC 0.8759
745 VGD 0.8759
746 AX7 0.8758
747 XQK 0.8756
748 JAE 0.8756
749 IFP 0.8756
750 PFB 0.8753
751 VOH 0.8753
752 MO8 0.8751
753 KP2 0.8750
754 X0W 0.8749
755 6X9 0.8749
756 L99 0.8746
757 DHQ 0.8746
758 657 0.8745
759 M1A 0.8744
760 PHH 0.8740
761 GDL 0.8740
762 8OZ 0.8740
763 ADZ 0.8740
764 UFV 0.8739
765 FUD 0.8738
766 56D 0.8737
767 X04 0.8736
768 1X7 0.8735
769 3AE 0.8735
770 2SX 0.8735
771 MUR 0.8735
772 XIZ 0.8734
773 HA7 0.8734
774 I7B 0.8734
775 67N 0.8733
776 J9T 0.8733
777 DIU 0.8732
778 1SQ 0.8731
779 HX3 0.8731
780 6E8 0.8729
781 9BF 0.8728
782 QAT 0.8728
783 4FH 0.8726
784 7VJ 0.8726
785 42J 0.8726
786 GM7 0.8725
787 HJP 0.8725
788 1AL 0.8724
789 F69 0.8721
790 7W4 0.8720
791 YE7 0.8720
792 7ZL 0.8719
793 IJZ 0.8719
794 GI3 0.8719
795 CFA 0.8719
796 C8O 0.8719
797 G2F 0.8718
798 3ID 0.8717
799 TH7 0.8717
800 IOP 0.8715
801 KW8 0.8715
802 OGA 0.8715
803 1X8 0.8714
804 23J 0.8714
805 ALL 0.8713
806 GJS 0.8713
807 3HA 0.8708
808 XAN 0.8706
809 DBH 0.8705
810 K37 0.8704
811 WS6 0.8703
812 A5H 0.8700
813 C2U 0.8700
814 S7J 0.8700
815 5VM 0.8699
816 55D 0.8698
817 DC5 0.8698
818 ES9 0.8697
819 3VS 0.8697
820 4A5 0.8696
821 GZ8 0.8695
822 FP1 0.8692
823 64E 0.8692
824 YTX 0.8691
825 11S 0.8690
826 795 0.8690
827 6HP 0.8689
828 1NP 0.8689
829 JUG 0.8689
830 JA8 0.8688
831 2UZ 0.8688
832 6J9 0.8687
833 MFR 0.8687
834 CCV 0.8685
835 YO5 0.8685
836 YSO 0.8685
837 GLA 0.8685
838 RAT 0.8683
839 DBX 0.8683
840 DMD 0.8683
841 9DG 0.8683
842 24W 0.8683
843 LR5 0.8682
844 DHR 0.8682
845 717 0.8681
846 BNX 0.8680
847 2A9 0.8680
848 JRB 0.8680
849 FK1 0.8680
850 THM 0.8680
851 36M 0.8679
852 DEW 0.8679
853 KOJ 0.8678
854 DE5 0.8677
855 M3Q 0.8677
856 78Y 0.8677
857 EJZ 0.8677
858 1LQ 0.8675
859 HMH 0.8674
860 3F0 0.8673
861 PHE 0.8673
862 H4N 0.8671
863 BZX 0.8671
864 QAS 0.8670
865 ASO 0.8670
866 293 0.8670
867 82I 0.8668
868 4HB 0.8668
869 QIC 0.8667
870 14O 0.8666
871 9TF 0.8665
872 F60 0.8664
873 WOO 0.8664
874 2WU 0.8664
875 18N 0.8662
876 96R 0.8661
877 5E5 0.8660
878 S2P 0.8659
879 7MW 0.8659
880 PHU 0.8657
881 IPT 0.8657
882 XI7 0.8655
883 3M0 0.8655
884 CR1 0.8653
885 FBM 0.8653
886 RUY 0.8652
887 AZA 0.8651
888 4VY 0.8650
889 5MB 0.8650
890 1LM 0.8650
891 YE6 0.8649
892 1DW 0.8647
893 EV0 0.8647
894 HJ7 0.8647
895 G1O 0.8646
896 P92 0.8646
897 PFL 0.8645
898 0LH 0.8645
899 4YS 0.8644
900 5H1 0.8642
901 8H8 0.8642
902 MZM 0.8641
903 HCI 0.8640
904 878 0.8640
905 X09 0.8640
906 QUS 0.8640
907 GUN 0.8639
908 I7A 0.8639
909 P80 0.8639
910 JBH 0.8638
911 5IQ 0.8634
912 H70 0.8634
913 PX7 0.8633
914 5SG 0.8633
915 RH1 0.8632
916 ADA 0.8632
917 ES1 0.8631
918 SYR 0.8629
919 K82 0.8628
920 0NX 0.8627
921 JPZ 0.8627
922 ONZ 0.8626
923 KIB 0.8625
924 463 0.8625
925 5Q0 0.8624
926 7CT 0.8624
927 PHB 0.8623
928 6M9 0.8623
929 YH7 0.8623
930 4XF 0.8623
931 FBF 0.8622
932 9KZ 0.8622
933 MFZ 0.8622
934 1XM 0.8621
935 7FU 0.8621
936 BOA 0.8620
937 GCW 0.8620
938 HHA 0.8620
939 5MI 0.8619
940 AEH 0.8616
941 S98 0.8616
942 6AP 0.8615
943 A2G 0.8614
944 EYK 0.8613
945 A1Y 0.8611
946 270 0.8610
947 B53 0.8610
948 TBS 0.8608
949 AJ1 0.8607
950 372 0.8607
951 YRL 0.8607
952 O72 0.8607
953 BZQ 0.8603
954 259 0.8603
955 N5J 0.8603
956 8NY 0.8602
957 MAN 0.8600
958 AIN 0.8600
959 IPB 0.8600
960 CTS 0.8600
961 IGA 0.8599
962 261 0.8599
963 ASC 0.8597
964 4NZ 0.8596
965 9PY 0.8596
966 X0T 0.8595
967 141 0.8595
968 12B 0.8594
969 8U3 0.8592
970 2MI 0.8587
971 A2F 0.8587
972 6AI 0.8584
973 ST1 0.8583
974 21D 0.8581
975 HQY 0.8576
976 NPO 0.8575
977 U7E 0.8574
978 2K4 0.8569
979 1GN 0.8569
980 DTR 0.8568
981 GOX 0.8568
982 JXN 0.8566
983 CNI 0.8556
984 RSV 0.8553
985 HPT 0.8551
986 4NP 0.8548
987 F4K 0.8544
988 GNY 0.8542
989 JBK 0.8541
990 0RW 0.8538
991 K17 0.8530
992 06B 0.8530
993 YZ9 0.8527
994 39A 0.8525
995 4XH 0.8523
996 AZG 0.8523
997 GAB 0.8523
998 3DO 0.8521
999 0CU 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4A22; Ligand: TD4; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4a22.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 1GVF PGH 46.1538
2 1GVF PGH 46.1538
Pocket No.: 2; Query (leader) PDB : 4A22; Ligand: TD4; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 4a22.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1GVF PGH 46.1538
2 1GVF PGH 46.1538
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