Receptor
PDB id Resolution Class Description Source Keywords
4OWS 2.43 Å EC: 2.4.2.18 ANTHRANILATE PHOSPHORIBOSYL TRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 4-METHYLANTHRANILATE, PRPP AND MYCOBACTERIUM TUBERCULOSIS ANTHRANILIC ACIDS MAGNESIUM TRYPTOPHAN INHIBITOR TRANSFE
Ref.: ALTERNATIVE SUBSTRATES REVEAL CATALYTIC CYCLE AND K BINDING EVENTS IN THE REACTION CATALYSED BY ANTHRAN PHOSPHORIBOSYLTRANSFERASE FROM MYCOBACTERIUM TUBERC BIOCHEM.J. V. 461 87 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMD B:403;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
4M0 B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
151.163 C8 H9 N O2 Cc1cc...
POP B:401;
A:401;
Invalid;
Invalid;
none;
none;
submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M0R 1.96 Å EC: 2.4.2.18 TRIANTHRANILATE-LIKE ANALOGUE BOUND TO ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE (ANPRT; TRPD). MYCOBACTERIUM TUBERCULOSIS MAGNESIUM BINDING PHOSPHORIBOSYLPYROPHOSPHATE PRPP INHIBICOMPLEX TRI-ANTHRANILATE ANALOGUE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC PHOSPHORIBOSYLTRANSFERASE TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: REPURPOSING THE CHEMICAL SCAFFOLD OF THE ANTI-ARTHR LOBENZARIT TO TARGET TRYPTOPHAN BIOSYNTHESIS IN MYCOBACTERIUM TUBERCULOSIS. CHEMBIOCHEM V. 15 852 2014
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4OWN - PRP C5 H13 O14 P3 C([C@@H]1[....
2 4X5C - PRP C5 H13 O14 P3 C([C@@H]1[....
3 4X58 - MLT C4 H6 O5 C([C@H](C(....
4 4OWV Ki = 45 uM BE2 C7 H7 N O2 c1ccc(c(c1....
5 4X5D - BE2 C7 H7 N O2 c1ccc(c(c1....
6 4N8Q Ki = 380 uM FA0 C7 H6 F N O2 c1cc(c(cc1....
7 4OWS - 4M0 C8 H9 N O2 Cc1ccc(c(c....
8 4X59 - PRP C5 H13 O14 P3 C([C@@H]1[....
9 4N5V - FA0 C7 H6 F N O2 c1cc(c(cc1....
10 4GIU Ki = 4.7 uM 636 C16 H15 N O4 Cc1ccc(c(c....
11 4OWM - PRP C5 H13 O14 P3 C([C@@H]1[....
12 4OWU - PRP C5 H13 O14 P3 C([C@@H]1[....
13 4OWO - PRP C5 H13 O14 P3 C([C@@H]1[....
14 4X5E Ki = 89 uM BE2 C7 H7 N O2 c1ccc(c(c1....
15 4IJ1 Ki = 4 uM 17C C14 H11 N O4 c1ccc(c(c1....
16 4N93 - PRP C5 H13 O14 P3 C([C@@H]1[....
17 4OWQ - PRP C5 H13 O14 P3 C([C@@H]1[....
18 4X5B - PRP C5 H13 O14 P3 C([C@@H]1[....
19 4M0R Ki = 6.2 uM 644 C21 H16 N2 O6 c1ccc(c(c1....
20 4GKM Ki = 6.8 uM 683 C15 H13 N O4 Cc1ccc(c(c....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4OWN - PRP C5 H13 O14 P3 C([C@@H]1[....
2 4X5C - PRP C5 H13 O14 P3 C([C@@H]1[....
3 4X58 - MLT C4 H6 O5 C([C@H](C(....
4 4OWV Ki = 45 uM BE2 C7 H7 N O2 c1ccc(c(c1....
5 4X5D - BE2 C7 H7 N O2 c1ccc(c(c1....
6 4N8Q Ki = 380 uM FA0 C7 H6 F N O2 c1cc(c(cc1....
7 4OWS - 4M0 C8 H9 N O2 Cc1ccc(c(c....
8 4X59 - PRP C5 H13 O14 P3 C([C@@H]1[....
9 4N5V - FA0 C7 H6 F N O2 c1cc(c(cc1....
10 4GIU Ki = 4.7 uM 636 C16 H15 N O4 Cc1ccc(c(c....
11 4OWM - PRP C5 H13 O14 P3 C([C@@H]1[....
12 4OWU - PRP C5 H13 O14 P3 C([C@@H]1[....
13 4OWO - PRP C5 H13 O14 P3 C([C@@H]1[....
14 4X5E Ki = 89 uM BE2 C7 H7 N O2 c1ccc(c(c1....
15 4IJ1 Ki = 4 uM 17C C14 H11 N O4 c1ccc(c(c1....
16 4N93 - PRP C5 H13 O14 P3 C([C@@H]1[....
17 4OWQ - PRP C5 H13 O14 P3 C([C@@H]1[....
18 4X5B - PRP C5 H13 O14 P3 C([C@@H]1[....
19 4M0R Ki = 6.2 uM 644 C21 H16 N2 O6 c1ccc(c(c1....
20 4GKM Ki = 6.8 uM 683 C15 H13 N O4 Cc1ccc(c(c....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4OWN - PRP C5 H13 O14 P3 C([C@@H]1[....
2 4X5C - PRP C5 H13 O14 P3 C([C@@H]1[....
3 4X58 - MLT C4 H6 O5 C([C@H](C(....
4 4OWV Ki = 45 uM BE2 C7 H7 N O2 c1ccc(c(c1....
5 4X5D - BE2 C7 H7 N O2 c1ccc(c(c1....
6 4N8Q Ki = 380 uM FA0 C7 H6 F N O2 c1cc(c(cc1....
7 4OWS - 4M0 C8 H9 N O2 Cc1ccc(c(c....
8 4X59 - PRP C5 H13 O14 P3 C([C@@H]1[....
9 4N5V - FA0 C7 H6 F N O2 c1cc(c(cc1....
10 4GIU Ki = 4.7 uM 636 C16 H15 N O4 Cc1ccc(c(c....
11 4OWM - PRP C5 H13 O14 P3 C([C@@H]1[....
12 4OWU - PRP C5 H13 O14 P3 C([C@@H]1[....
13 4OWO - PRP C5 H13 O14 P3 C([C@@H]1[....
14 4X5E Ki = 89 uM BE2 C7 H7 N O2 c1ccc(c(c1....
15 4IJ1 Ki = 4 uM 17C C14 H11 N O4 c1ccc(c(c1....
16 4N93 - PRP C5 H13 O14 P3 C([C@@H]1[....
17 4OWQ - PRP C5 H13 O14 P3 C([C@@H]1[....
18 4X5B - PRP C5 H13 O14 P3 C([C@@H]1[....
19 4M0R Ki = 6.2 uM 644 C21 H16 N2 O6 c1ccc(c(c1....
20 4GKM Ki = 6.8 uM 683 C15 H13 N O4 Cc1ccc(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4M0; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 4M0 1 1
2 5M0 0.526316 1
3 12T 0.5 0.851852
4 FA0 0.487179 0.821429
5 XYD 0.428571 0.6
6 2AC 0.405405 0.655172
7 BE2 0.405405 0.958333
Similar Ligands (3D)
Ligand no: 1; Ligand: 4M0; Similar ligands found: 1454
No: Ligand Similarity coefficient
1 BHA 1.0000
2 5CU 1.0000
3 DOB 1.0000
4 5NU 0.9991
5 BGC 0.9833
6 IPB 0.9810
7 HMH 0.9771
8 PHB 0.9765
9 NPO 0.9765
10 HBD 0.9751
11 PAB 0.9742
12 3DO 0.9737
13 SAL 0.9732
14 Z82 0.9728
15 MS9 0.9722
16 FYU 0.9716
17 P72 0.9714
18 24B 0.9713
19 HMU 0.9708
20 4AA 0.9705
21 4SV 0.9702
22 ZZT 0.9701
23 B57 0.9693
24 4MA 0.9687
25 E7Z 0.9685
26 174 0.9678
27 1Y6 0.9675
28 TH7 0.9667
29 ODO 0.9664
30 4Z4 0.9662
31 826 0.9662
32 XQ0 0.9660
33 ES6 0.9659
34 JBE 0.9658
35 PBZ 0.9657
36 ASO 0.9637
37 NOJ 0.9637
38 CN0 0.9634
39 8H8 0.9634
40 3U4 0.9633
41 5OB 0.9633
42 JKE 0.9632
43 2FY 0.9630
44 SW7 0.9623
45 BZ3 0.9622
46 MRW 0.9621
47 A7W 0.9617
48 DIN 0.9615
49 M1A 0.9604
50 URC 0.9600
51 AC6 0.9599
52 GLC 0.9599
53 VNJ 0.9597
54 5XC 0.9596
55 TIU 0.9593
56 4FS 0.9587
57 67N 0.9586
58 IFL 0.9584
59 BTY 0.9584
60 8TX 0.9583
61 QBK 0.9580
62 03V 0.9580
63 2AQ 0.9576
64 FDB 0.9575
65 ES5 0.9568
66 NSP 0.9567
67 EA1 0.9563
68 ABV 0.9562
69 LCN 0.9561
70 1WD 0.9561
71 7WV 0.9558
72 AX7 0.9554
73 FBB 0.9553
74 2K4 0.9550
75 5WV 0.9550
76 F60 0.9549
77 TTL 0.9545
78 SVN 0.9545
79 2D0 0.9544
80 H42 0.9544
81 3PF 0.9543
82 14O 0.9540
83 B55 0.9538
84 COU 0.9537
85 5H1 0.9536
86 ET2 0.9536
87 6AI 0.9535
88 5MI 0.9533
89 OCH 0.9533
90 4BZ 0.9533
91 11S 0.9527
92 7W1 0.9527
93 YH7 0.9524
94 PNZ 0.9523
95 JAE 0.9521
96 5RN 0.9520
97 4NC 0.9519
98 XX2 0.9519
99 P9P 0.9516
100 XAZ 0.9515
101 270 0.9514
102 JB5 0.9513
103 E5X 0.9513
104 12Q 0.9511
105 GCU 0.9511
106 ISN 0.9510
107 K2T 0.9509
108 1XM 0.9509
109 5MB 0.9509
110 HBA 0.9508
111 BZX 0.9505
112 2HO 0.9504
113 DHB 0.9504
114 0HO 0.9502
115 2MI 0.9501
116 M2K 0.9501
117 AZA 0.9499
118 AZG 0.9498
119 FHB 0.9498
120 G3F 0.9497
121 IP0 0.9497
122 ANN 0.9492
123 FK1 0.9491
124 5QX 0.9491
125 MYJ 0.9491
126 KT7 0.9491
127 INO 0.9491
128 6NT 0.9491
129 ES9 0.9490
130 NOY 0.9488
131 VGD 0.9488
132 3SK 0.9487
133 93K 0.9486
134 4A3 0.9486
135 F9Y 0.9483
136 AMH 0.9483
137 XM0 0.9483
138 3DM 0.9482
139 6M9 0.9481
140 GCS 0.9481
141 7B4 0.9479
142 0P6 0.9478
143 BDP 0.9478
144 NNO 0.9477
145 0CU 0.9477
146 PXL 0.9476
147 AHR 0.9475
148 H4N 0.9474
149 SYV 0.9474
150 5QY 0.9474
151 GRE 0.9473
152 75K 0.9472
153 ICO 0.9469
154 9DG 0.9468
155 141 0.9468
156 36R 0.9468
157 3NY 0.9467
158 6NI 0.9467
159 G2F 0.9466
160 I3A 0.9465
161 1PT 0.9464
162 ES2 0.9461
163 INE 0.9459
164 J9W 0.9457
165 XAN 0.9457
166 2A9 0.9455
167 6M4 0.9454
168 6AP 0.9454
169 0FO 0.9451
170 HIO 0.9449
171 7HQ 0.9449
172 9TW 0.9449
173 CLW 0.9447
174 2ZM 0.9446
175 5JQ 0.9446
176 0HN 0.9446
177 ES0 0.9444
178 GUN 0.9443
179 4JT 0.9442
180 6F0 0.9442
181 CHB 0.9440
182 IGA 0.9440
183 6M1 0.9440
184 AZ8 0.9439
185 5VM 0.9438
186 Q24 0.9438
187 F05 0.9438
188 NPY 0.9437
189 4NM 0.9436
190 4HC 0.9436
191 SHA 0.9434
192 QUZ 0.9434
193 BPN 0.9434
194 8ZE 0.9433
195 AJ2 0.9432
196 3HM 0.9430
197 86J 0.9430
198 KUF 0.9428
199 ADZ 0.9428
200 SKA 0.9428
201 PE0 0.9427
202 1P8 0.9425
203 CWM 0.9424
204 8S0 0.9424
205 XHP 0.9423
206 CWS 0.9423
207 6RQ 0.9422
208 4JQ 0.9422
209 MR1 0.9422
210 KKN 0.9422
211 HQT 0.9421
212 8CM 0.9420
213 M5K 0.9419
214 92K 0.9419
215 CTL 0.9419
216 AQO 0.9418
217 CFP 0.9417
218 NID 0.9417
219 8NY 0.9416
220 B62 0.9416
221 290 0.9415
222 DX4 0.9415
223 MEW 0.9413
224 QSB 0.9413
225 5RG 0.9413
226 JLZ 0.9413
227 DBH 0.9411
228 3F0 0.9411
229 HHA 0.9410
230 8IG 0.9410
231 A2F 0.9408
232 MQN 0.9407
233 9EW 0.9407
234 4P5 0.9407
235 2HU 0.9406
236 5JL 0.9405
237 B53 0.9405
238 5NI 0.9404
239 4VP 0.9403
240 OTW 0.9403
241 3MB 0.9403
242 SRT 0.9401
243 3HA 0.9400
244 1LQ 0.9400
245 ES7 0.9399
246 AZ9 0.9399
247 173 0.9398
248 3ID 0.9396
249 G5V 0.9396
250 0N7 0.9396
251 M1Q 0.9396
252 D48 0.9396
253 2EC 0.9396
254 GTQ 0.9395
255 J9Q 0.9395
256 4CS 0.9395
257 FE DB1 0.9393
258 IV2 0.9392
259 1F1 0.9391
260 PYQ 0.9391
261 N5J 0.9389
262 OVM 0.9389
263 HDH 0.9389
264 4TU 0.9386
265 BOA 0.9386
266 VK3 0.9386
267 NQ 0.9386
268 1NP 0.9386
269 7W4 0.9384
270 DMD 0.9384
271 QX4 0.9384
272 7N0 0.9384
273 HQD 0.9383
274 0RW 0.9383
275 XYP 0.9382
276 NIO 0.9382
277 BCU 0.9380
278 5SG 0.9379
279 15L 0.9379
280 Q88 0.9378
281 0TU 0.9377
282 2ZV 0.9377
283 FP1 0.9375
284 G3E 0.9375
285 2CK 0.9373
286 M6N 0.9373
287 54G 0.9372
288 ES1 0.9372
289 F1A 0.9372
290 5IQ 0.9371
291 DQU 0.9371
292 JAW 0.9370
293 HLR 0.9370
294 1SQ 0.9370
295 8WO 0.9370
296 JPZ 0.9369
297 3A9 0.9367
298 3M0 0.9367
299 KJU 0.9367
300 ABI 0.9366
301 BEZ 0.9366
302 RM1 0.9366
303 9TZ 0.9364
304 MUA 0.9362
305 XIY 0.9362
306 44W 0.9361
307 4YO 0.9361
308 24W 0.9361
309 L3Q 0.9360
310 APZ 0.9360
311 RXA 0.9360
312 TSU 0.9356
313 SAN 0.9354
314 JBK 0.9352
315 5Q0 0.9351
316 JBH 0.9350
317 KJH 0.9350
318 LXC 0.9350
319 EVA 0.9350
320 4ME 0.9350
321 IFM 0.9347
322 DIE 0.9347
323 8GC 0.9346
324 1M2 0.9345
325 BSX 0.9344
326 HQY 0.9344
327 6GU 0.9344
328 FCR 0.9343
329 SE2 0.9341
330 J9T 0.9341
331 PXM 0.9341
332 CWJ 0.9340
333 VOH 0.9339
334 6ME 0.9338
335 BEN 0.9338
336 SWA 0.9338
337 97T 0.9337
338 4XR 0.9336
339 4JL 0.9335
340 4YS 0.9334
341 MVN 0.9332
342 NCA 0.9332
343 3HB 0.9332
344 FQI 0.9330
345 82I 0.9329
346 6CS 0.9329
347 HH5 0.9329
348 GZL 0.9325
349 TGX 0.9323
350 NK 0.9322
351 JZ3 0.9322
352 680 0.9322
353 FB1 0.9322
354 GXY 0.9321
355 3AB 0.9321
356 R9Y 0.9320
357 37T 0.9319
358 44V 0.9317
359 2HQ 0.9316
360 6LW 0.9312
361 T9G 0.9312
362 O72 0.9311
363 BEA 0.9311
364 60P 0.9311
365 AAS 0.9311
366 BAM 0.9310
367 LGC 0.9309
368 KJY 0.9309
369 4HM 0.9309
370 6PC 0.9309
371 OXZ 0.9307
372 NDH 0.9305
373 1LM 0.9305
374 SOE 0.9305
375 N2I 0.9304
376 YCP 0.9304
377 0R0 0.9303
378 4WL 0.9302
379 259 0.9301
380 94W 0.9301
381 J5I 0.9300
382 LZM 0.9299
383 R8S 0.9298
384 PYD 0.9298
385 IHB 0.9297
386 5GU 0.9292
387 LT2 0.9292
388 SX1 0.9291
389 XUL 0.9288
390 4FA 0.9287
391 FBV 0.9286
392 5MK 0.9286
393 AEF 0.9286
394 GAL 0.9285
395 R8V 0.9285
396 2AL 0.9284
397 MNM 0.9283
398 42C 0.9283
399 3Z8 0.9282
400 WCE 0.9282
401 KDV 0.9281
402 9R5 0.9280
403 OAA 0.9278
404 7NI 0.9276
405 42A 0.9276
406 23A 0.9274
407 8WT 0.9273
408 QAT 0.9271
409 4J8 0.9270
410 CTS 0.9269
411 1DW 0.9269
412 GYE 0.9269
413 GAB 0.9267
414 717 0.9266
415 KOJ 0.9265
416 SKM 0.9264
417 4XH 0.9263
418 Q6T 0.9262
419 2H5 0.9262
420 NBZ 0.9261
421 SYG 0.9261
422 MO8 0.9260
423 TTY 0.9260
424 GCB 0.9259
425 NTN 0.9259
426 Z5P 0.9258
427 9FL 0.9256
428 7MU 0.9254
429 QAS 0.9254
430 7VS 0.9254
431 MLT 0.9254
432 KIB 0.9253
433 KIA 0.9253
434 JB8 0.9252
435 GDE 0.9252
436 3NT 0.9251
437 4ZA 0.9251
438 RNS 0.9250
439 5HN 0.9249
440 2AK 0.9248
441 RB5 0.9247
442 XYL 0.9247
443 NIZ 0.9247
444 3OC 0.9246
445 F81 0.9245
446 261 0.9245
447 5RO 0.9244
448 OTR 0.9243
449 UEG 0.9243
450 BCP 0.9243
451 1MC 0.9243
452 PRF 0.9242
453 2BG 0.9242
454 PZA 0.9242
455 HH8 0.9241
456 ASC 0.9240
457 1XN 0.9240
458 UNU 0.9240
459 DRL 0.9239
460 53C 0.9239
461 DHR 0.9238
462 RAT 0.9237
463 RNT 0.9237
464 AJV 0.9237
465 0JD 0.9236
466 GM7 0.9236
467 PQ0 0.9236
468 GZQ 0.9236
469 DFB 0.9235
470 VNL 0.9234
471 VGL 0.9233
472 M1H 0.9233
473 WOO 0.9232
474 1LN 0.9232
475 GJS 0.9231
476 PBC 0.9231
477 JDN 0.9230
478 EKZ 0.9229
479 FBS 0.9228
480 TDR 0.9228
481 OVV 0.9227
482 ICP 0.9227
483 ROR 0.9226
484 HPA 0.9226
485 5MH 0.9225
486 FEH 0.9224
487 9MG 0.9224
488 ZXD 0.9223
489 DGJ 0.9221
490 TLA 0.9221
491 43M 0.9220
492 069 0.9219
493 32X 0.9219
494 ALL 0.9218
495 DHK 0.9217
496 R9S 0.9217
497 RHU 0.9216
498 BE7 0.9215
499 ISZ 0.9215
500 MCT 0.9213
501 C2B 0.9213
502 BTE 0.9212
503 1P7 0.9211
504 PRZ 0.9210
505 URF 0.9210
506 3IT 0.9210
507 34A 0.9209
508 AKH 0.9208
509 FBM 0.9207
510 2MP 0.9206
511 286 0.9206
512 BHO 0.9205
513 OW4 0.9205
514 PDC 0.9204
515 DBJ 0.9203
516 JZ7 0.9203
517 R8A 0.9203
518 AC0 0.9202
519 DEN 0.9202
520 PH2 0.9202
521 GAF 0.9201
522 2KA 0.9201
523 JZ2 0.9201
524 MWM 0.9200
525 FBA 0.9200
526 LNR 0.9199
527 JZ1 0.9199
528 8OZ 0.9198
529 AFR 0.9197
530 PZM 0.9197
531 RSF 0.9197
532 WBU 0.9195
533 2FG 0.9195
534 948 0.9194
535 9CA 0.9194
536 M1E 0.9194
537 XBZ 0.9194
538 TAR 0.9193
539 52C 0.9193
540 TH0 0.9189
541 6VD 0.9189
542 15E 0.9189
543 MT5 0.9188
544 94B 0.9188
545 N8Y 0.9188
546 ADE 0.9188
547 G4D 0.9187
548 2ZQ 0.9187
549 XQG 0.9186
550 CFI 0.9186
551 X05 0.9184
552 AMS 0.9183
553 4MU 0.9183
554 KBG 0.9181
555 QSC 0.9181
556 5UC 0.9181
557 FBT 0.9181
558 HIS 0.9180
559 92P 0.9179
560 4ZE 0.9179
561 1IT 0.9179
562 15N 0.9178
563 SS1 0.9178
564 E7S 0.9178
565 GZ8 0.9176
566 4CL 0.9176
567 C2Y 0.9175
568 7ZE 0.9175
569 IND 0.9173
570 GLA 0.9172
571 LYL 0.9172
572 2LY 0.9172
573 DHQ 0.9172
574 4JJ 0.9171
575 BRT 0.9171
576 3MG 0.9170
577 HLZ 0.9170
578 BDF 0.9169
579 HX3 0.9169
580 J6W 0.9168
581 2FQ 0.9167
582 GIV 0.9167
583 14J 0.9167
584 SS2 0.9167
585 EQT 0.9166
586 P92 0.9164
587 H8N 0.9164
588 5B1 0.9163
589 2LP 0.9161
590 TYL 0.9161
591 4JO 0.9160
592 4HO 0.9160
593 TEP 0.9158
594 SHG 0.9158
595 0FN 0.9157
596 RSO 0.9157
597 IFP 0.9156
598 SJ5 0.9156
599 PD2 0.9155
600 BNS 0.9155
601 HT4 0.9154
602 X0V 0.9154
603 H62 0.9152
604 QWN 0.9152
605 39A 0.9152
606 4JM 0.9151
607 ADA 0.9150
608 4XV 0.9150
609 MZG 0.9150
610 SWD 0.9150
611 G6D 0.9150
612 UFO 0.9150
613 HXX 0.9149
614 DS0 0.9148
615 HC4 0.9148
616 6MP 0.9148
617 5AC 0.9148
618 FUD 0.9147
619 FH2 0.9147
620 TM7 0.9147
621 FAN 0.9147
622 149 0.9147
623 MWJ 0.9146
624 25W 0.9146
625 BZI 0.9146
626 L99 0.9146
627 209 0.9145
628 UAN 0.9144
629 EHM 0.9142
630 A29 0.9142
631 3BZ 0.9141
632 GBD 0.9141
633 3XX 0.9141
634 MAN 0.9140
635 M0W 0.9140
636 GTR 0.9139
637 6KT 0.9139
638 9DA 0.9139
639 IPZ 0.9138
640 GAG 0.9137
641 9HX 0.9136
642 FDK 0.9135
643 FPY 0.9134
644 4JP 0.9134
645 449 0.9134
646 QPR 0.9133
647 DYA 0.9133
648 H33 0.9132
649 3WA 0.9132
650 EYK 0.9131
651 BR9 0.9130
652 IT2 0.9130
653 S76 0.9129
654 II6 0.9128
655 F12 0.9128
656 AZF 0.9128
657 XYS 0.9127
658 AKG 0.9127
659 QXW 0.9126
660 OXQ 0.9126
661 DMJ 0.9125
662 10L 0.9125
663 B60 0.9125
664 5WY 0.9125
665 AL0 0.9124
666 IDM 0.9124
667 EUG 0.9124
668 0CT 0.9124
669 2YU 0.9122
670 TLD 0.9122
671 BZF 0.9122
672 BMA 0.9122
673 RMN 0.9121
674 UNC 0.9121
675 E1T 0.9120
676 LZ1 0.9120
677 2A7 0.9120
678 LDP 0.9119
679 4SX 0.9119
680 AGK 0.9118
681 PHU 0.9117
682 YQA 0.9117
683 A1U 0.9116
684 PEY 0.9115
685 27Y 0.9115
686 PA1 0.9114
687 F31 0.9114
688 3FH 0.9114
689 LSA 0.9114
690 495 0.9111
691 8G0 0.9110
692 N2Z 0.9109
693 YIO 0.9108
694 GUA 0.9107
695 QSH 0.9106
696 LKA 0.9106
697 FOC 0.9105
698 YRL 0.9104
699 OVP 0.9102
700 RIB 0.9099
701 5JC 0.9099
702 MAQ 0.9099
703 7HP 0.9099
704 4FH 0.9096
705 JBQ 0.9094
706 I3E 0.9092
707 0R1 0.9092
708 ILE 0.9092
709 MSR 0.9092
710 MPI 0.9091
711 NDM 0.9091
712 F9P 0.9090
713 2MH 0.9090
714 0F9 0.9089
715 MNN 0.9088
716 GIF 0.9087
717 GLF 0.9087
718 JA8 0.9087
719 EV0 0.9087
720 BZ2 0.9087
721 TOF 0.9086
722 OXC 0.9085
723 GCW 0.9084
724 CLZ 0.9084
725 4XS 0.9084
726 8W9 0.9084
727 1GN 0.9082
728 M58 0.9082
729 7WA 0.9082
730 GJP 0.9081
731 JND 0.9081
732 JZ4 0.9081
733 MT0 0.9079
734 HA5 0.9079
735 BP1 0.9077
736 4JU 0.9077
737 SXS 0.9076
738 OW7 0.9076
739 4RU 0.9076
740 4NB 0.9076
741 MBG 0.9075
742 GOX 0.9074
743 PZI 0.9074
744 4M4 0.9074
745 FUC 0.9074
746 GVH 0.9074
747 3BU 0.9073
748 IF7 0.9073
749 IUR 0.9073
750 7VJ 0.9073
751 ESP 0.9073
752 EMZ 0.9072
753 HJP 0.9072
754 X6X 0.9072
755 1DJ 0.9071
756 I1E 0.9071
757 KYD 0.9071
758 0W8 0.9069
759 PBA 0.9069
760 DNF 0.9068
761 PAC 0.9067
762 CFF 0.9067
763 RIP 0.9066
764 M4S 0.9066
765 1HN 0.9066
766 JZ9 0.9062
767 K5W 0.9062
768 HZQ 0.9062
769 FGZ 0.9062
770 NMJ 0.9062
771 S2G 0.9061
772 0MK 0.9061
773 KBB 0.9061
774 PM6 0.9060
775 Y8I 0.9059
776 UGC 0.9058
777 BP9 0.9058
778 PFB 0.9057
779 RBL 0.9055
780 DEE 0.9055
781 FOT 0.9054
782 DII 0.9053
783 9PY 0.9053
784 7ME 0.9052
785 ES4 0.9051
786 4VY 0.9050
787 ICB 0.9050
788 DFU 0.9049
789 HA7 0.9048
790 DBX 0.9048
791 1AB 0.9047
792 IJZ 0.9047
793 LPK 0.9046
794 F0J 0.9046
795 QX2 0.9046
796 FDR 0.9045
797 GXL 0.9044
798 KP6 0.9044
799 L14 0.9043
800 D07 0.9042
801 M4T 0.9041
802 FUL 0.9040
803 9FE 0.9040
804 HY3 0.9038
805 OK7 0.9037
806 PHH 0.9037
807 M4E 0.9036
808 RBJ 0.9036
809 JTH 0.9035
810 TPA 0.9035
811 HQJ 0.9034
812 9ZE 0.9033
813 BK9 0.9033
814 JG8 0.9033
815 IDH 0.9032
816 2MN 0.9032
817 EDG 0.9031
818 9KT 0.9029
819 3AL 0.9028
820 ARB 0.9028
821 T6C 0.9026
822 MZB 0.9025
823 KBZ 0.9025
824 1WG 0.9024
825 GLU 0.9023
826 LMR 0.9023
827 4JC 0.9023
828 NTM 0.9022
829 MUC 0.9021
830 PAF 0.9021
831 CPZ 0.9019
832 TSS 0.9018
833 TZF 0.9018
834 LQ2 0.9018
835 R2B 0.9017
836 1AL 0.9016
837 ISE 0.9016
838 1P3 0.9014
839 0LH 0.9013
840 QWW 0.9013
841 PHT 0.9013
842 F5B 0.9013
843 K3Q 0.9013
844 PEA 0.9013
845 5XB 0.9012
846 SN4 0.9012
847 2CQ 0.9011
848 47J 0.9010
849 QY9 0.9010
850 ZB1 0.9009
851 HQE 0.9009
852 3SL 0.9009
853 ASP 0.9008
854 HSO 0.9007
855 ORO 0.9007
856 GIO 0.9006
857 FCA 0.9005
858 3R6 0.9005
859 ESX 0.9005
860 6FZ 0.9005
861 V55 0.9004
862 2GS 0.9003
863 9RW 0.9002
864 39O 0.9002
865 SOR 0.9001
866 PCA 0.9000
867 W81 0.9000
868 RNO 0.8999
869 GLT 0.8998
870 C2U 0.8998
871 K34 0.8997
872 HHH 0.8995
873 M2H 0.8995
874 PLQ 0.8995
875 JIF 0.8995
876 35C 0.8994
877 CH9 0.8994
878 SNO 0.8993
879 PYG 0.8993
880 MRY 0.8992
881 NFM 0.8992
882 HHR 0.8991
883 GRO 0.8991
884 GOO 0.8990
885 FB2 0.8990
886 6JN 0.8989
887 JFD 0.8988
888 KMH 0.8987
889 DE5 0.8987
890 DIU 0.8986
891 12B 0.8985
892 M0Q 0.8985
893 34D 0.8984
894 PEZ 0.8984
895 SMN 0.8983
896 GCV 0.8983
897 TWO 0.8983
898 23J 0.8982
899 PFL 0.8982
900 PRY 0.8981
901 K17 0.8980
902 DPZ 0.8980
903 A65 0.8978
904 27B 0.8978
905 BNT 0.8978
906 KTA 0.8977
907 PCR 0.8977
908 THE 0.8976
909 ZZ3 0.8976
910 CIT 0.8976
911 LG4 0.8976
912 SF9 0.8975
913 AMC 0.8975
914 PXY 0.8975
915 091 0.8975
916 AW5 0.8974
917 MXN 0.8973
918 7D2 0.8973
919 OHP 0.8973
920 LI6 0.8971
921 1KP 0.8970
922 3RK 0.8969
923 XXR 0.8969
924 SLS 0.8969
925 2FT 0.8968
926 KLW 0.8968
927 7WG 0.8966
928 ESI 0.8966
929 EJZ 0.8965
930 XBT 0.8965
931 Q71 0.8964
932 150 0.8964
933 DOR 0.8963
934 X09 0.8963
935 OA3 0.8961
936 GJZ 0.8961
937 GVG 0.8960
938 TBS 0.8958
939 25R 0.8958
940 7CZ 0.8958
941 5LA 0.8957
942 7MH 0.8956
943 XRG 0.8956
944 51R 0.8954
945 1SA 0.8953
946 4ZC 0.8953
947 ONR 0.8951
948 PQK 0.8951
949 5WX 0.8951
950 6TZ 0.8949
951 TT4 0.8948
952 MBD 0.8948
953 FPI 0.8946
954 SVD 0.8945
955 ZYR 0.8945
956 1DV 0.8943
957 APG 0.8943
958 ASN 0.8941
959 TEO 0.8940
960 PMB 0.8939
961 HHT 0.8939
962 KYA 0.8938
963 BML 0.8938
964 2F6 0.8938
965 12M 0.8936
966 NGO 0.8936
967 KTJ 0.8935
968 C1M 0.8935
969 8XL 0.8935
970 SEP 0.8934
971 PKU 0.8934
972 SNU 0.8933
973 CXF 0.8933
974 H5B 0.8932
975 4CH 0.8932
976 GMN 0.8932
977 NVU 0.8930
978 JU2 0.8929
979 282 0.8929
980 0TR 0.8928
981 275 0.8928
982 DHS 0.8928
983 40E 0.8926
984 LDU 0.8925
985 RPQ 0.8925
986 PIM 0.8925
987 EPR 0.8924
988 86L 0.8924
989 23W 0.8924
990 3HG 0.8923
991 4HS 0.8923
992 DA1 0.8923
993 4P0 0.8921
994 F4E 0.8921
995 SRO 0.8920
996 ABN 0.8920
997 ABE 0.8919
998 SR1 0.8918
999 COI 0.8918
1000 329 0.8918
1001 JUG 0.8918
1002 HY1 0.8917
1003 20J 0.8915
1004 BSP 0.8915
1005 HBX 0.8915
1006 FPN 0.8914
1007 D1X 0.8914
1008 3Z7 0.8914
1009 FA1 0.8913
1010 GOJ 0.8913
1011 EDR 0.8912
1012 ADK 0.8912
1013 PYF 0.8909
1014 TBP 0.8909
1015 GCO 0.8908
1016 ZBT 0.8907
1017 PJW 0.8907
1018 ZZZ 0.8906
1019 MAE 0.8906
1020 7MX 0.8905
1021 INS 0.8904
1022 EOL 0.8903
1023 MWP 0.8902
1024 GGL 0.8900
1025 K32 0.8900
1026 45C 0.8899
1027 FLC 0.8899
1028 TAG 0.8899
1029 1MR 0.8898
1030 BZJ 0.8898
1031 P3K 0.8898
1032 2CL 0.8898
1033 C21 0.8897
1034 8K2 0.8897
1035 Q02 0.8896
1036 B5D 0.8895
1037 M45 0.8893
1038 MAJ 0.8891
1039 NAG 0.8891
1040 ZZ8 0.8890
1041 ZVO 0.8889
1042 L5V 0.8888
1043 7B3 0.8888
1044 7WR 0.8888
1045 VXX 0.8886
1046 SYN 0.8886
1047 FRU 0.8886
1048 2DR 0.8886
1049 36Y 0.8885
1050 ICF 0.8884
1051 QOS 0.8884
1052 45L 0.8882
1053 K22 0.8881
1054 EXO 0.8879
1055 FBW 0.8879
1056 3CE 0.8878
1057 A7N 0.8877
1058 NBE 0.8877
1059 URP 0.8877
1060 UFV 0.8876
1061 GOG 0.8876
1062 4JN 0.8875
1063 AA 0.8875
1064 6MH 0.8875
1065 0W1 0.8873
1066 G1O 0.8872
1067 TC7 0.8870
1068 F4Z 0.8870
1069 M3H 0.8869
1070 S7J 0.8869
1071 9CL 0.8868
1072 2TQ 0.8865
1073 NGT 0.8864
1074 GV9 0.8864
1075 OGA 0.8863
1076 P4B 0.8863
1077 SME 0.8863
1078 OHG 0.8863
1079 265 0.8862
1080 YSO 0.8860
1081 PIY 0.8858
1082 JZ5 0.8857
1083 J9N 0.8857
1084 PY7 0.8856
1085 428 0.8856
1086 3FA 0.8856
1087 HKD 0.8854
1088 KTW 0.8853
1089 152 0.8852
1090 AN3 0.8852
1091 42J 0.8852
1092 A7H 0.8851
1093 2MY 0.8851
1094 M44 0.8850
1095 ANF 0.8850
1096 ZWZ 0.8849
1097 PEP 0.8849
1098 8HC 0.8847
1099 GNM 0.8847
1100 XCZ 0.8846
1101 HYP 0.8842
1102 FA3 0.8842
1103 NSG 0.8839
1104 SMV 0.8839
1105 IAC 0.8838
1106 R20 0.8838
1107 95Z 0.8838
1108 J1Z 0.8838
1109 FUF 0.8837
1110 FCB 0.8837
1111 5VL 0.8836
1112 IOL 0.8835
1113 HSE 0.8834
1114 JXN 0.8834
1115 AX3 0.8834
1116 BPU 0.8832
1117 NCT 0.8831
1118 QIC 0.8830
1119 DZA 0.8829
1120 3MC 0.8829
1121 2C9 0.8829
1122 MEV 0.8828
1123 UY7 0.8828
1124 KGK 0.8828
1125 OMD 0.8828
1126 2CM 0.8827
1127 H6B 0.8826
1128 SYA 0.8826
1129 LDR 0.8825
1130 DUB 0.8825
1131 CRS 0.8825
1132 TSR 0.8824
1133 RAM 0.8823
1134 WOT 0.8820
1135 RD4 0.8819
1136 NTZ 0.8818
1137 8NX 0.8818
1138 0BP 0.8816
1139 5NE 0.8815
1140 AJY 0.8814
1141 260 0.8813
1142 Q07 0.8811
1143 30G 0.8811
1144 MRZ 0.8810
1145 284 0.8809
1146 1A7 0.8808
1147 FLM 0.8807
1148 MZW 0.8807
1149 D3M 0.8807
1150 NCD 0.8806
1151 X8D 0.8805
1152 MFB 0.8805
1153 2PC 0.8804
1154 FFP 0.8802
1155 N3W 0.8801
1156 3MA 0.8800
1157 3ZQ 0.8800
1158 QMP 0.8798
1159 DRG 0.8798
1160 PSJ 0.8795
1161 3V4 0.8794
1162 HFB 0.8793
1163 FLV 0.8793
1164 RM4 0.8792
1165 PRO 0.8792
1166 1Z6 0.8791
1167 2PG 0.8790
1168 FUB 0.8789
1169 JBN 0.8788
1170 FHN 0.8787
1171 HLD 0.8787
1172 0FK 0.8786
1173 G12 0.8785
1174 DQA 0.8785
1175 SD4 0.8784
1176 K8X 0.8783
1177 K6X 0.8783
1178 UNJ 0.8783
1179 PEQ 0.8782
1180 0V5 0.8782
1181 H76 0.8782
1182 I6G 0.8782
1183 A13 0.8782
1184 GT0 0.8781
1185 S24 0.8781
1186 5NS 0.8781
1187 TP5 0.8781
1188 0GZ 0.8780
1189 A5E 0.8779
1190 271 0.8777
1191 NEQ 0.8776
1192 HHI 0.8776
1193 A09 0.8776
1194 GLO 0.8775
1195 AMG 0.8774
1196 1WC 0.8774
1197 C2A 0.8774
1198 64K 0.8772
1199 2HG 0.8771
1200 ARW 0.8771
1201 36E 0.8771
1202 DQN 0.8771
1203 GLN 0.8769
1204 THA 0.8769
1205 RUY 0.8769
1206 9AP 0.8769
1207 RCO 0.8768
1208 PX7 0.8767
1209 FBF 0.8767
1210 226 0.8767
1211 535 0.8766
1212 MSN 0.8766
1213 FPK 0.8766
1214 4BL 0.8766
1215 AEG 0.8765
1216 LT8 0.8764
1217 N8P 0.8763
1218 NF3 0.8763
1219 2HC 0.8763
1220 4BY 0.8762
1221 AEH 0.8761
1222 APS 0.8761
1223 L7T 0.8761
1224 PHE 0.8760
1225 K97 0.8760
1226 B2J 0.8759
1227 EN1 0.8758
1228 B24 0.8758
1229 DGN 0.8755
1230 BCF 0.8755
1231 FOA 0.8755
1232 GZ3 0.8754
1233 LRH 0.8754
1234 39U 0.8754
1235 54Z 0.8752
1236 1U6 0.8751
1237 51F 0.8751
1238 OQC 0.8750
1239 13P 0.8750
1240 IBF 0.8749
1241 APY 0.8749
1242 PEL 0.8747
1243 TMZ 0.8746
1244 NXA 0.8745
1245 60Q 0.8744
1246 F3B 0.8744
1247 5TY 0.8743
1248 DTU 0.8742
1249 94N 0.8741
1250 9TY 0.8741
1251 TZE 0.8739
1252 X0U 0.8738
1253 3MH 0.8738
1254 293 0.8737
1255 X0W 0.8737
1256 Q7A 0.8736
1257 MAK 0.8734
1258 ARA 0.8733
1259 GLY PRO 0.8731
1260 3ZB 0.8731
1261 3AE 0.8731
1262 3CH 0.8730
1263 XXG 0.8729
1264 BBF 0.8729
1265 HX2 0.8726
1266 URQ 0.8726
1267 9X7 0.8726
1268 1DU 0.8725
1269 1QP 0.8724
1270 6BL 0.8723
1271 LZ2 0.8723
1272 PYC 0.8723
1273 XXP 0.8722
1274 DHY 0.8721
1275 TZC 0.8721
1276 4HP 0.8719
1277 280 0.8717
1278 MPV 0.8716
1279 1L5 0.8715
1280 PBE 0.8711
1281 IWT 0.8711
1282 IPM 0.8710
1283 NK2 0.8709
1284 SIF 0.8709
1285 ITN 0.8709
1286 PYJ 0.8709
1287 GBN 0.8707
1288 PCI 0.8707
1289 GTZ 0.8705
1290 FHC 0.8705
1291 GF4 0.8702
1292 40O 0.8701
1293 2O6 0.8699
1294 HTP 0.8698
1295 K82 0.8697
1296 7MK 0.8696
1297 DAS 0.8695
1298 BBK 0.8694
1299 GSY 0.8693
1300 SNE 0.8692
1301 HTS 0.8692
1302 G3P 0.8692
1303 G3H 0.8692
1304 URA 0.8691
1305 2K8 0.8690
1306 CYT 0.8690
1307 8EW 0.8689
1308 ICT 0.8688
1309 SPV 0.8688
1310 4I8 0.8688
1311 273 0.8688
1312 CRN 0.8688
1313 8XQ 0.8686
1314 OXE 0.8686
1315 HGQ 0.8686
1316 2CH 0.8685
1317 0OC 0.8685
1318 BEW 0.8684
1319 ALE 0.8683
1320 HNQ 0.8683
1321 LG3 0.8682
1322 B85 0.8681
1323 BVF 0.8680
1324 HBO 0.8679
1325 938 0.8678
1326 GLL 0.8677
1327 BNL 0.8677
1328 6KX 0.8675
1329 5DI 0.8675
1330 CFA 0.8675
1331 4KL 0.8674
1332 CAQ 0.8674
1333 NGA 0.8674
1334 GIM 0.8673
1335 DNC 0.8673
1336 DVQ 0.8672
1337 EVF 0.8672
1338 AIN 0.8672
1339 HCS 0.8668
1340 I1N 0.8668
1341 SIN 0.8667
1342 B0D 0.8665
1343 OTD 0.8665
1344 5CL 0.8663
1345 URS 0.8662
1346 Z13 0.8662
1347 3QV 0.8662
1348 MVL 0.8662
1349 AEZ 0.8661
1350 6UA 0.8660
1351 3YP 0.8659
1352 LG5 0.8659
1353 J01 0.8658
1354 2AS 0.8658
1355 TMT 0.8657
1356 BR8 0.8657
1357 HCI 0.8656
1358 41K 0.8654
1359 V1T 0.8654
1360 BNF 0.8654
1361 69O 0.8652
1362 B3R 0.8651
1363 BPY 0.8649
1364 JZ0 0.8648
1365 PRS 0.8647
1366 MHK 0.8644
1367 KIV 0.8644
1368 28N 0.8643
1369 TFU 0.8643
1370 IUP 0.8642
1371 S0E 0.8642
1372 13X 0.8639
1373 Q77 0.8639
1374 68A 0.8638
1375 93Q 0.8637
1376 6QF 0.8636
1377 JYB 0.8636
1378 1AN 0.8636
1379 MMA 0.8634
1380 AES 0.8632
1381 4NZ 0.8631
1382 2BX 0.8630
1383 JFJ 0.8630
1384 3W8 0.8629
1385 2AF 0.8629
1386 7A2 0.8628
1387 06B 0.8625
1388 TVP 0.8624
1389 L89 0.8624
1390 CEE 0.8624
1391 KJ5 0.8623
1392 ECE 0.8623
1393 FK8 0.8622
1394 92Z 0.8622
1395 GHM 0.8622
1396 3GQ 0.8618
1397 4H2 0.8618
1398 26D 0.8618
1399 FP2 0.8617
1400 KFH 0.8615
1401 6X8 0.8612
1402 DTL 0.8610
1403 N7P 0.8610
1404 HEW 0.8610
1405 4XX 0.8608
1406 ARP 0.8607
1407 P9E 0.8607
1408 PPY 0.8607
1409 ORN 0.8604
1410 IOM 0.8604
1411 61M 0.8603
1412 MQB 0.8603
1413 ST3 0.8603
1414 7VP 0.8602
1415 7UC 0.8600
1416 A2G 0.8599
1417 8LG 0.8598
1418 2QC 0.8597
1419 M3T 0.8593
1420 YAN 0.8592
1421 FBU 0.8592
1422 PH3 0.8591
1423 EXD 0.8590
1424 264 0.8588
1425 344 0.8587
1426 LR5 0.8586
1427 HHS 0.8582
1428 VAL 0.8581
1429 DX3 0.8577
1430 8GF 0.8576
1431 JAB 0.8575
1432 ROI 0.8574
1433 AX2 0.8572
1434 5ZE 0.8570
1435 R67 0.8569
1436 RUU 0.8562
1437 REL 0.8560
1438 DA4 0.8557
1439 4CM 0.8555
1440 76X 0.8553
1441 M5H 0.8552
1442 KMY 0.8552
1443 HX4 0.8550
1444 EGR 0.8550
1445 4V2 0.8549
1446 K37 0.8549
1447 O2A 0.8548
1448 NLE 0.8545
1449 3AY 0.8545
1450 CIG 0.8539
1451 HSM 0.8528
1452 YTB 0.8525
1453 5AN 0.8523
1454 FLA 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M0R; Ligand: 644; 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: 4m0r.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4M0R; Ligand: 644; 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: 4m0r.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback