Receptor
PDB id Resolution Class Description Source Keywords
4OWQ 1.89 Å EC: 2.4.2.18 ANTHRANILATE PHOSPHORIBOSYL TRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 3-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
3M0 B:403;
A:404;
 Valid;
Valid;
 none;
none;
 submit data
151.163 C8 H9 N O2 Cc1cc...
IMD B:404;
 Invalid;
 none;
 submit data
69.085 C3 H5 N2 c1c[n...
PRP B:402;
A:403;
 Valid;
Valid;
 none;
none;
 submit data
390.07 C5 H13 O14 P3 C([C@...
GOL A:406;
A:405;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
MG A:401;
A:402;
B:401;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
24.305 Mg [Mg+2...
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: 3M0; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 3M0 1 1
2 3HA 0.486486 0.766667
3 3F0 0.473684 0.821429
4 6M1 0.435897 1
5 5M0 0.425 1
6 BE2 0.416667 0.958333
Ligand no: 2; Ligand: PRP; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 RI2 0.695652 0.975
3 PPC 0.615385 0.930233
4 G16 0.588235 0.883721
5 A6P 0.5 0.880952
6 M6D 0.5 0.880952
7 BG6 0.5 0.880952
8 BGP 0.5 0.880952
9 HSX 0.5 0.975
10 M6P 0.5 0.880952
11 G6P 0.5 0.880952
12 AHG 0.5 0.904762
13 RP5 0.5 0.975
14 ABF 0.5 0.975
15 GRF 0.45098 0.745098
16 FDQ 0.425926 0.883721
17 RF5 0.415094 0.863636
18 50A 0.415094 0.863636
19 R1P 0.411765 0.951219
20 GLP 0.410714 0.74
21 4R1 0.410714 0.74
Similar Ligands (3D)
Ligand no: 1; Ligand: 3M0; Similar ligands found: 1354
No: Ligand Similarity coefficient
1 HHA 1.0000
2 DBH 1.0000
3 JBK 1.0000
4 FE DB1 0.9913
5 IFM 0.9829
6 SJ5 0.9794
7 8GC 0.9781
8 NOJ 0.9776
9 DFB 0.9752
10 DHQ 0.9750
11 3AB 0.9740
12 4CS 0.9733
13 SAL 0.9731
14 ADZ 0.9728
15 53C 0.9728
16 23A 0.9724
17 ASO 0.9721
18 G3F 0.9720
19 HJP 0.9717
20 7B4 0.9715
21 FOT 0.9715
22 HXX 0.9703
23 GLC 0.9695
24 OXZ 0.9694
25 GAB 0.9689
26 G5V 0.9688
27 NMJ 0.9687
28 AHR 0.9687
29 3HB 0.9687
30 WCE 0.9682
31 GYE 0.9681
32 OVV 0.9681
33 UNC 0.9678
34 3IT 0.9678
35 3NT 0.9666
36 32X 0.9664
37 BGC 0.9661
38 LCN 0.9656
39 6F0 0.9656
40 AZF 0.9653
41 GRE 0.9652
42 5HN 0.9650
43 ES6 0.9648
44 4SV 0.9647
45 4AA 0.9641
46 JBE 0.9641
47 C2U 0.9635
48 N5J 0.9634
49 5IQ 0.9632
50 F81 0.9631
51 3OC 0.9631
52 3FH 0.9629
53 9DG 0.9628
54 3DO 0.9627
55 JKE 0.9624
56 24W 0.9624
57 5SG 0.9622
58 JPZ 0.9622
59 5Q0 0.9618
60 IFL 0.9617
61 BRT 0.9615
62 4YS 0.9614
63 G2F 0.9613
64 HQY 0.9610
65 3U4 0.9609
66 AZA 0.9608
67 ES1 0.9603
68 3BZ 0.9600
69 XYP 0.9600
70 Q6T 0.9599
71 AZ8 0.9594
72 1SQ 0.9593
73 IJZ 0.9593
74 GUN 0.9592
75 SVN 0.9591
76 BDP 0.9589
77 G6D 0.9588
78 P3K 0.9585
79 1LQ 0.9584
80 PE0 0.9580
81 IP0 0.9580
82 BZX 0.9577
83 A2F 0.9576
84 3ID 0.9576
85 1WD 0.9575
86 141 0.9574
87 6M9 0.9572
88 M6N 0.9572
89 6M4 0.9571
90 XAN 0.9571
91 AZG 0.9570
92 LYL 0.9569
93 8S0 0.9568
94 2ZV 0.9567
95 3SK 0.9566
96 AKH 0.9565
97 XQ0 0.9562
98 6AP 0.9557
99 K5W 0.9557
100 7WV 0.9556
101 IGA 0.9553
102 1NP 0.9550
103 MEW 0.9550
104 5RG 0.9549
105 CN0 0.9548
106 7NI 0.9548
107 DIU 0.9548
108 HPA 0.9548
109 25W 0.9546
110 GCS 0.9541
111 0P6 0.9541
112 ORO 0.9541
113 SRT 0.9540
114 M5K 0.9540
115 NOY 0.9539
116 1XM 0.9538
117 F05 0.9538
118 OXC 0.9538
119 HIO 0.9537
120 9EW 0.9536
121 DMD 0.9535
122 3DM 0.9534
123 Q24 0.9533
124 GAL 0.9533
125 BEN 0.9531
126 BEZ 0.9530
127 AQO 0.9527
128 URC 0.9527
129 3WA 0.9526
130 2K4 0.9525
131 BOA 0.9524
132 4XH 0.9524
133 AJ2 0.9524
134 CFP 0.9523
135 LXC 0.9519
136 14O 0.9517
137 290 0.9517
138 KT7 0.9516
139 5H1 0.9515
140 0RW 0.9515
141 YCP 0.9514
142 HH8 0.9509
143 4HC 0.9508
144 6AI 0.9504
145 F60 0.9504
146 YH7 0.9501
147 COU 0.9501
148 H42 0.9501
149 NIO 0.9501
150 67N 0.9500
151 MAN 0.9500
152 LGC 0.9500
153 FDB 0.9499
154 ISE 0.9499
155 5MI 0.9498
156 HLR 0.9498
157 BTE 0.9496
158 2EC 0.9495
159 JBQ 0.9494
160 2CK 0.9492
161 5MB 0.9491
162 BAM 0.9491
163 GTQ 0.9490
164 82I 0.9489
165 9TZ 0.9487
166 42C 0.9484
167 M1A 0.9484
168 EQT 0.9483
169 2AQ 0.9480
170 KBG 0.9477
171 8CM 0.9475
172 INS 0.9474
173 NCA 0.9471
174 QUZ 0.9470
175 OCH 0.9469
176 7VS 0.9468
177 HLZ 0.9467
178 A7W 0.9463
179 DX4 0.9463
180 4NC 0.9462
181 NBZ 0.9462
182 MYJ 0.9459
183 03V 0.9459
184 I3A 0.9458
185 7HP 0.9457
186 NPY 0.9457
187 AFR 0.9456
188 L3Q 0.9456
189 KUF 0.9456
190 B57 0.9456
191 TEP 0.9455
192 M0Q 0.9455
193 P9P 0.9454
194 4FS 0.9454
195 TTL 0.9454
196 ES9 0.9452
197 6PC 0.9452
198 DMJ 0.9451
199 11S 0.9451
200 6CS 0.9451
201 SHA 0.9450
202 54G 0.9450
203 DIN 0.9448
204 10L 0.9447
205 BTY 0.9447
206 DOR 0.9446
207 1XN 0.9446
208 FYU 0.9446
209 7HQ 0.9442
210 BHA 0.9442
211 B62 0.9441
212 ES0 0.9441
213 CWS 0.9441
214 5WV 0.9441
215 EVA 0.9441
216 ADE 0.9440
217 KJY 0.9438
218 5OB 0.9438
219 XX2 0.9437
220 JB5 0.9437
221 34D 0.9435
222 KKN 0.9435
223 G3E 0.9434
224 6MP 0.9433
225 5MK 0.9431
226 Q88 0.9428
227 9MG 0.9428
228 ISN 0.9428
229 7W4 0.9427
230 AW5 0.9427
231 DHB 0.9427
232 1P7 0.9427
233 PZA 0.9427
234 5JQ 0.9426
235 FA0 0.9426
236 8TX 0.9425
237 UNU 0.9424
238 DBJ 0.9423
239 GCU 0.9423
240 JZ3 0.9422
241 DIE 0.9421
242 7WA 0.9421
243 QWN 0.9421
244 VNJ 0.9419
245 XYS 0.9418
246 SVD 0.9418
247 5CU 0.9418
248 5RO 0.9418
249 ASC 0.9417
250 9DA 0.9415
251 H4N 0.9414
252 3PF 0.9413
253 5QY 0.9413
254 9HX 0.9412
255 ES5 0.9412
256 15L 0.9411
257 2D0 0.9411
258 AZ9 0.9411
259 INO 0.9411
260 5NU 0.9409
261 0CU 0.9409
262 FK1 0.9408
263 39A 0.9408
264 0N7 0.9408
265 5RN 0.9408
266 DOB 0.9407
267 MT5 0.9406
268 BCP 0.9406
269 MRW 0.9405
270 EA1 0.9405
271 DRL 0.9404
272 4JT 0.9404
273 MUA 0.9404
274 X05 0.9403
275 LT2 0.9403
276 75K 0.9400
277 12Q 0.9399
278 SOE 0.9398
279 NTN 0.9396
280 NPO 0.9395
281 JUG 0.9394
282 3Z8 0.9393
283 PM6 0.9392
284 3HM 0.9391
285 NNO 0.9390
286 1P3 0.9389
287 CWM 0.9389
288 HMH 0.9389
289 XAZ 0.9388
290 1WG 0.9387
291 BMA 0.9386
292 MNM 0.9385
293 PHB 0.9385
294 JZ7 0.9384
295 PBC 0.9384
296 4A3 0.9383
297 BP1 0.9382
298 HQD 0.9379
299 B55 0.9379
300 ES7 0.9378
301 MZB 0.9378
302 VNL 0.9373
303 5QX 0.9372
304 8EZ 0.9371
305 2HO 0.9371
306 5B1 0.9370
307 51R 0.9370
308 KYD 0.9370
309 5WY 0.9370
310 RIB 0.9369
311 SX1 0.9369
312 INE 0.9369
313 F5B 0.9369
314 TH7 0.9368
315 BZ3 0.9367
316 7W1 0.9367
317 4M0 0.9367
318 NQ 0.9367
319 OVM 0.9366
320 93K 0.9366
321 7MU 0.9366
322 RHU 0.9366
323 948 0.9365
324 QSC 0.9365
325 GDE 0.9365
326 2CQ 0.9365
327 SHG 0.9365
328 5WX 0.9365
329 VK3 0.9364
330 SS2 0.9363
331 PYQ 0.9362
332 URF 0.9361
333 3MB 0.9360
334 NDM 0.9359
335 JLZ 0.9358
336 8NY 0.9358
337 XHP 0.9358
338 IDM 0.9358
339 FHB 0.9357
340 PAB 0.9357
341 FB1 0.9357
342 G1O 0.9356
343 150 0.9356
344 7N0 0.9356
345 DEN 0.9355
346 CHB 0.9355
347 SS1 0.9354
348 1DW 0.9354
349 RB5 0.9353
350 XYL 0.9353
351 S76 0.9353
352 64K 0.9350
353 GCB 0.9350
354 QSB 0.9349
355 RM1 0.9348
356 NK 0.9348
357 1P8 0.9348
358 HQT 0.9348
359 3RK 0.9348
360 HBD 0.9348
361 SKA 0.9347
362 BHO 0.9347
363 AJV 0.9345
364 GIO 0.9345
365 FBT 0.9344
366 TDR 0.9344
367 8WO 0.9343
368 VGL 0.9343
369 AGK 0.9341
370 OW4 0.9341
371 RXA 0.9341
372 J9T 0.9340
373 MCT 0.9340
374 TLA 0.9340
375 GLA 0.9339
376 QXW 0.9339
377 PYG 0.9339
378 44W 0.9338
379 SE2 0.9337
380 HH5 0.9336
381 ET2 0.9335
382 94B 0.9335
383 1PT 0.9335
384 TH0 0.9334
385 MR1 0.9334
386 CFF 0.9334
387 2H5 0.9333
388 0FO 0.9333
389 LZM 0.9331
390 R8A 0.9330
391 D48 0.9330
392 FBV 0.9329
393 42A 0.9329
394 A13 0.9329
395 HMU 0.9328
396 0W8 0.9327
397 BE7 0.9326
398 WBU 0.9326
399 P72 0.9325
400 PXL 0.9324
401 AC0 0.9323
402 D1X 0.9323
403 B53 0.9322
404 D3M 0.9322
405 ZZT 0.9321
406 PQ0 0.9321
407 CTL 0.9320
408 9TW 0.9320
409 BEA 0.9319
410 5JL 0.9318
411 270 0.9318
412 ICO 0.9318
413 GIF 0.9317
414 MO8 0.9317
415 EXO 0.9317
416 2AL 0.9317
417 ES4 0.9316
418 DQU 0.9316
419 2A7 0.9315
420 EDG 0.9313
421 CTS 0.9313
422 TTY 0.9313
423 JZ9 0.9313
424 TAG 0.9313
425 OTW 0.9312
426 VGD 0.9312
427 43M 0.9310
428 JAE 0.9309
429 36R 0.9308
430 NID 0.9308
431 FEH 0.9308
432 275 0.9307
433 2HQ 0.9307
434 NIZ 0.9307
435 9KT 0.9307
436 5UC 0.9306
437 6ME 0.9305
438 MWM 0.9305
439 4ZE 0.9305
440 4XR 0.9305
441 Z82 0.9304
442 AX7 0.9303
443 XM0 0.9303
444 24B 0.9303
445 FH2 0.9303
446 B60 0.9303
447 3MG 0.9302
448 CLW 0.9301
449 2MP 0.9301
450 PRF 0.9301
451 329 0.9300
452 1LM 0.9300
453 4ME 0.9300
454 3XX 0.9300
455 XBZ 0.9299
456 J5I 0.9297
457 PFB 0.9296
458 IND 0.9296
459 4P5 0.9296
460 ES2 0.9294
461 BNS 0.9293
462 GAF 0.9292
463 8IG 0.9292
464 1MC 0.9292
465 34A 0.9291
466 JXN 0.9291
467 FP1 0.9291
468 IHB 0.9291
469 ZXD 0.9290
470 XYD 0.9289
471 BZF 0.9289
472 495 0.9288
473 PYD 0.9288
474 ICP 0.9288
475 XQG 0.9288
476 4HO 0.9288
477 KOJ 0.9286
478 2AC 0.9286
479 ABV 0.9285
480 1Y6 0.9285
481 IV2 0.9283
482 5XC 0.9282
483 86J 0.9282
484 0R1 0.9282
485 F12 0.9282
486 BZI 0.9281
487 MT0 0.9280
488 44V 0.9279
489 ADK 0.9279
490 XXR 0.9279
491 4HM 0.9277
492 JBH 0.9277
493 OAA 0.9277
494 LZ1 0.9276
495 DHK 0.9276
496 F4Z 0.9276
497 RSO 0.9276
498 GBD 0.9274
499 GVH 0.9274
500 F31 0.9274
501 CFI 0.9272
502 60P 0.9270
503 SYV 0.9269
504 F0J 0.9267
505 SKM 0.9267
506 IPB 0.9267
507 MPI 0.9266
508 4JO 0.9266
509 2LP 0.9265
510 4P0 0.9265
511 069 0.9265
512 RAM 0.9265
513 1AB 0.9264
514 GZL 0.9264
515 2MI 0.9262
516 E7Z 0.9262
517 8H8 0.9262
518 O72 0.9261
519 ARB 0.9261
520 M58 0.9259
521 GLF 0.9258
522 QPR 0.9258
523 5MH 0.9257
524 C2A 0.9257
525 4MA 0.9256
526 NDH 0.9254
527 KIB 0.9253
528 KIA 0.9253
529 MAQ 0.9252
530 RPQ 0.9251
531 293 0.9251
532 ALL 0.9251
533 ARA 0.9251
534 3MA 0.9251
535 V55 0.9251
536 FBB 0.9250
537 286 0.9249
538 JZ1 0.9249
539 K2T 0.9248
540 QX2 0.9248
541 MVN 0.9248
542 4M4 0.9248
543 2ZQ 0.9247
544 TC7 0.9247
545 GMN 0.9246
546 NSP 0.9246
547 5AC 0.9246
548 AC6 0.9245
549 GOG 0.9243
550 APZ 0.9242
551 A1U 0.9241
552 0TR 0.9241
553 92K 0.9240
554 FBM 0.9240
555 3CE 0.9240
556 FDK 0.9239
557 M1Q 0.9239
558 PQK 0.9239
559 FBW 0.9239
560 261 0.9238
561 P92 0.9238
562 PZI 0.9238
563 BDF 0.9237
564 DGJ 0.9237
565 2MN 0.9237
566 2XX 0.9236
567 3NY 0.9235
568 0R0 0.9234
569 PA1 0.9233
570 4JQ 0.9233
571 FPY 0.9232
572 45C 0.9232
573 ISZ 0.9232
574 HZQ 0.9231
575 GTR 0.9230
576 PFL 0.9230
577 SYG 0.9230
578 IPZ 0.9229
579 5VM 0.9228
580 45L 0.9227
581 2A9 0.9227
582 D07 0.9227
583 XCZ 0.9226
584 AMC 0.9225
585 G4D 0.9225
586 0CT 0.9225
587 12B 0.9224
588 RSF 0.9224
589 RIP 0.9223
590 T9G 0.9223
591 DQN 0.9222
592 UEG 0.9221
593 JZ2 0.9220
594 7ZE 0.9219
595 0HO 0.9219
596 R2B 0.9218
597 ADA 0.9217
598 EKZ 0.9216
599 SWA 0.9215
600 GAG 0.9214
601 OXQ 0.9214
602 X6X 0.9213
603 PDC 0.9213
604 QWW 0.9212
605 J9W 0.9211
606 4JJ 0.9211
607 6GU 0.9211
608 MQN 0.9210
609 MZG 0.9208
610 5GU 0.9205
611 R9S 0.9205
612 PCA 0.9203
613 HFB 0.9203
614 WOO 0.9202
615 4CL 0.9202
616 6VD 0.9202
617 JA8 0.9201
618 DFU 0.9201
619 OVP 0.9200
620 3MC 0.9200
621 EUG 0.9200
622 DUB 0.9200
623 0MK 0.9198
624 YSO 0.9198
625 6MH 0.9196
626 PBZ 0.9196
627 JIF 0.9195
628 826 0.9195
629 2AK 0.9194
630 MBD 0.9194
631 F9P 0.9193
632 7B3 0.9193
633 6LW 0.9191
634 174 0.9191
635 NTM 0.9191
636 HIS 0.9190
637 KJU 0.9189
638 TM4 0.9185
639 GXL 0.9185
640 TM7 0.9185
641 LI6 0.9185
642 6NT 0.9185
643 14J 0.9185
644 4NG 0.9184
645 2C9 0.9184
646 ROR 0.9183
647 4YO 0.9180
648 R8S 0.9180
649 4MU 0.9180
650 SW7 0.9177
651 7VJ 0.9174
652 EYK 0.9174
653 FAN 0.9174
654 2MY 0.9173
655 FUF 0.9173
656 2YU 0.9173
657 KBB 0.9173
658 XUL 0.9172
659 IDH 0.9172
660 IUR 0.9172
661 BBF 0.9172
662 7CZ 0.9172
663 FFP 0.9171
664 VOH 0.9171
665 MNN 0.9170
666 3FA 0.9170
667 GXY 0.9169
668 M0W 0.9169
669 TAR 0.9168
670 IF7 0.9168
671 1LN 0.9168
672 37T 0.9167
673 SYA 0.9166
674 KJH 0.9165
675 0TU 0.9165
676 BR9 0.9164
677 PXM 0.9163
678 BCF 0.9159
679 FLM 0.9159
680 ZWZ 0.9158
681 1DJ 0.9158
682 K17 0.9158
683 MWJ 0.9158
684 IBF 0.9158
685 FQI 0.9157
686 KFH 0.9157
687 SXS 0.9156
688 3MH 0.9155
689 FUC 0.9155
690 MLT 0.9155
691 4JP 0.9154
692 0HN 0.9154
693 TBS 0.9154
694 27Y 0.9153
695 CRN 0.9153
696 IFP 0.9152
697 2CM 0.9152
698 HY3 0.9152
699 BCU 0.9151
700 RM4 0.9151
701 LRH 0.9150
702 282 0.9150
703 LNR 0.9149
704 RAT 0.9149
705 IT2 0.9148
706 QSH 0.9148
707 HBA 0.9148
708 HT4 0.9147
709 I1N 0.9147
710 DBX 0.9144
711 RNS 0.9143
712 NTZ 0.9142
713 HX3 0.9141
714 1F1 0.9140
715 PHH 0.9139
716 23J 0.9139
717 6RQ 0.9138
718 4Z4 0.9138
719 F9Y 0.9137
720 RNT 0.9137
721 FGZ 0.9136
722 GCW 0.9135
723 UAN 0.9133
724 4ZC 0.9132
725 M2K 0.9129
726 Z5P 0.9128
727 PCI 0.9127
728 5JC 0.9125
729 FUL 0.9125
730 GIV 0.9123
731 GOO 0.9123
732 BSX 0.9122
733 8ZE 0.9121
734 OA3 0.9121
735 209 0.9119
736 2FQ 0.9117
737 JFD 0.9115
738 N8P 0.9113
739 97T 0.9111
740 M1H 0.9110
741 2ZM 0.9107
742 Z6J 0.9106
743 3AL 0.9103
744 LKA 0.9103
745 N2I 0.9102
746 2CL 0.9102
747 6NI 0.9101
748 ZZ3 0.9100
749 2FG 0.9098
750 X0V 0.9098
751 680 0.9097
752 0JD 0.9096
753 GJS 0.9094
754 5CL 0.9094
755 FCA 0.9093
756 II6 0.9092
757 1GN 0.9092
758 HA7 0.9091
759 149 0.9090
760 TLD 0.9090
761 MS9 0.9089
762 7MH 0.9089
763 SWD 0.9088
764 1U6 0.9088
765 52C 0.9087
766 3Z7 0.9087
767 TOF 0.9087
768 GM7 0.9087
769 XXP 0.9087
770 I1E 0.9085
771 ABN 0.9085
772 DNF 0.9085
773 5NI 0.9083
774 JTH 0.9083
775 HBX 0.9081
776 FB2 0.9081
777 H33 0.9080
778 LSA 0.9080
779 PMB 0.9080
780 FBU 0.9077
781 289 0.9076
782 MWP 0.9075
783 4FH 0.9074
784 40E 0.9074
785 TZE 0.9073
786 EV0 0.9073
787 12M 0.9072
788 ZVO 0.9072
789 GLT 0.9071
790 X09 0.9070
791 HNQ 0.9070
792 N8Y 0.9069
793 T6C 0.9067
794 J9Q 0.9066
795 173 0.9066
796 ABE 0.9065
797 SYN 0.9065
798 O2A 0.9064
799 PHU 0.9064
800 FA1 0.9063
801 TGX 0.9062
802 B2J 0.9062
803 BNT 0.9062
804 NEQ 0.9061
805 8WT 0.9060
806 PAF 0.9059
807 C2Y 0.9058
808 94N 0.9058
809 LDU 0.9057
810 2HU 0.9057
811 FUB 0.9056
812 JZ4 0.9055
813 F3B 0.9054
814 8XQ 0.9054
815 DS0 0.9053
816 TPA 0.9051
817 HQJ 0.9051
818 KP6 0.9048
819 MMA 0.9048
820 BK9 0.9048
821 9R5 0.9046
822 YIO 0.9045
823 RMN 0.9045
824 XIY 0.9045
825 MRY 0.9042
826 URQ 0.9041
827 3R6 0.9040
828 7D2 0.9039
829 MXN 0.9038
830 4WL 0.9037
831 DPZ 0.9037
832 FRU 0.9037
833 2FY 0.9036
834 HY1 0.9036
835 DYA 0.9035
836 1MR 0.9034
837 GJZ 0.9033
838 MBG 0.9032
839 CXF 0.9031
840 PRZ 0.9030
841 ODO 0.9030
842 XLS 0.9030
843 PY7 0.9030
844 47J 0.9030
845 4TU 0.9029
846 PAC 0.9029
847 E5X 0.9029
848 ANN 0.9029
849 CWJ 0.9027
850 CLZ 0.9027
851 TEO 0.9027
852 FPI 0.9026
853 HTP 0.9024
854 PYF 0.9024
855 2LY 0.9021
856 MFB 0.9021
857 95Z 0.9020
858 YTB 0.9020
859 5NE 0.9020
860 TWO 0.9019
861 3BU 0.9018
862 M1E 0.9018
863 4SX 0.9018
864 92P 0.9017
865 ABI 0.9017
866 GIM 0.9017
867 2PC 0.9016
868 PNZ 0.9016
869 A65 0.9013
870 YQA 0.9013
871 AEZ 0.9012
872 PHT 0.9012
873 FCR 0.9010
874 717 0.9009
875 4ZA 0.9008
876 W81 0.9008
877 M4T 0.9007
878 3A9 0.9007
879 MRZ 0.9006
880 GOX 0.9004
881 COI 0.9003
882 4XV 0.9003
883 LMR 0.9002
884 K3Q 0.9002
885 9PY 0.9001
886 2DR 0.9001
887 KLW 0.9000
888 QY9 0.9000
889 ASP 0.9000
890 3SL 0.8997
891 JXW 0.8997
892 1XX 0.8997
893 UFV 0.8997
894 OK7 0.8996
895 HDH 0.8996
896 271 0.8996
897 NBE 0.8995
898 JAW 0.8993
899 L99 0.8993
900 A29 0.8992
901 PD2 0.8992
902 ZB1 0.8991
903 7WR 0.8991
904 260 0.8989
905 EDR 0.8988
906 9FL 0.8988
907 C21 0.8986
908 4VP 0.8986
909 JBN 0.8986
910 GZ8 0.8985
911 SOR 0.8985
912 15E 0.8984
913 7WG 0.8982
914 0LH 0.8982
915 Y8I 0.8982
916 PX7 0.8982
917 94W 0.8980
918 ARW 0.8979
919 R8V 0.8978
920 QX4 0.8978
921 1M2 0.8977
922 9KH 0.8977
923 RBL 0.8974
924 URP 0.8974
925 SMV 0.8972
926 2GS 0.8971
927 B5D 0.8971
928 WOT 0.8970
929 AS3 0.8969
930 0F9 0.8966
931 284 0.8965
932 MJ2 0.8964
933 PYJ 0.8964
934 B24 0.8964
935 XBT 0.8962
936 JFJ 0.8961
937 PH2 0.8961
938 SMN 0.8960
939 PRO 0.8960
940 B0D 0.8960
941 URA 0.8960
942 QAT 0.8957
943 FCB 0.8956
944 40O 0.8953
945 SEP 0.8952
946 AMH 0.8952
947 SNE 0.8952
948 GCV 0.8949
949 QAS 0.8948
950 9RW 0.8947
951 SRO 0.8945
952 ENL 0.8945
953 GV9 0.8943
954 1KP 0.8942
955 AAS 0.8942
956 NVU 0.8942
957 K6X 0.8941
958 N3W 0.8940
959 2RH 0.8939
960 1DV 0.8939
961 4NM 0.8938
962 K8X 0.8938
963 KDV 0.8937
964 APY 0.8937
965 JU2 0.8934
966 8GK 0.8931
967 N7P 0.8930
968 JG8 0.8930
969 6OT 0.8930
970 KTA 0.8930
971 ICF 0.8929
972 MSN 0.8929
973 PEA 0.8927
974 BSP 0.8927
975 DQA 0.8927
976 2KA 0.8926
977 4XS 0.8925
978 R9Y 0.8925
979 CRS 0.8924
980 FBA 0.8922
981 SEJ 0.8922
982 H76 0.8921
983 LDP 0.8921
984 RCO 0.8920
985 AOS 0.8919
986 FDR 0.8919
987 3ZQ 0.8919
988 K34 0.8918
989 F1A 0.8918
990 0FN 0.8918
991 4JU 0.8917
992 BP9 0.8917
993 TSU 0.8916
994 PEL 0.8916
995 ITN 0.8916
996 2TQ 0.8914
997 FX1 0.8914
998 ONR 0.8913
999 H7Y 0.8911
1000 FA3 0.8910
1001 FUD 0.8909
1002 Q71 0.8909
1003 AIN 0.8908
1004 9CL 0.8907
1005 PRY 0.8906
1006 OHP 0.8906
1007 39O 0.8905
1008 TSS 0.8903
1009 MVL 0.8903
1010 TFU 0.8903
1011 2BG 0.8903
1012 TP5 0.8901
1013 GRO 0.8899
1014 UQ 0.8899
1015 MFU 0.8899
1016 ILE 0.8898
1017 8OZ 0.8898
1018 6KX 0.8898
1019 GLU 0.8897
1020 EMZ 0.8897
1021 54D 0.8894
1022 Q7A 0.8894
1023 L5V 0.8893
1024 42J 0.8892
1025 M2H 0.8891
1026 DHS 0.8889
1027 K32 0.8888
1028 JKZ 0.8887
1029 O7U 0.8887
1030 OMD 0.8886
1031 BR8 0.8886
1032 LFR 0.8885
1033 HHR 0.8884
1034 8G0 0.8883
1035 265 0.8882
1036 N2Z 0.8882
1037 SAF 0.8882
1038 PEY 0.8882
1039 4JL 0.8882
1040 H62 0.8881
1041 PBE 0.8879
1042 TZC 0.8879
1043 273 0.8878
1044 ZYR 0.8878
1045 AEH 0.8876
1046 SAN 0.8876
1047 JB8 0.8875
1048 EJZ 0.8875
1049 6UA 0.8875
1050 QIC 0.8874
1051 GT0 0.8872
1052 3CH 0.8872
1053 H8N 0.8872
1054 4H2 0.8871
1055 FOA 0.8871
1056 PRS 0.8870
1057 DEE 0.8870
1058 7ME 0.8870
1059 J1Z 0.8870
1060 AH8 0.8869
1061 5DI 0.8868
1062 JXZ 0.8868
1063 VXX 0.8866
1064 ZZ8 0.8865
1065 5AN 0.8865
1066 2F6 0.8865
1067 TIU 0.8864
1068 PYC 0.8864
1069 AUD 0.8864
1070 SF9 0.8863
1071 QBK 0.8862
1072 LG5 0.8860
1073 ZZZ 0.8859
1074 OW7 0.8859
1075 L7T 0.8859
1076 NGO 0.8859
1077 NCD 0.8859
1078 1SA 0.8858
1079 ASN 0.8858
1080 13X 0.8857
1081 UFO 0.8857
1082 TYL 0.8857
1083 JDN 0.8856
1084 2MH 0.8856
1085 BVF 0.8853
1086 QOS 0.8850
1087 RUU 0.8849
1088 GTL 0.8849
1089 WDL 0.8849
1090 LG3 0.8849
1091 BZ2 0.8849
1092 6TZ 0.8848
1093 PHE 0.8848
1094 9CA 0.8848
1095 TMZ 0.8847
1096 TZL 0.8846
1097 ZBT 0.8846
1098 TMT 0.8845
1099 LPK 0.8843
1100 CGB 0.8843
1101 FBG 0.8843
1102 4JM 0.8841
1103 8GF 0.8840
1104 26D 0.8840
1105 I6G 0.8840
1106 YHO 0.8838
1107 GTZ 0.8837
1108 HKD 0.8836
1109 PKU 0.8833
1110 AL0 0.8833
1111 23W 0.8832
1112 2PG 0.8831
1113 CYT 0.8831
1114 KPL 0.8831
1115 KGK 0.8830
1116 FBS 0.8830
1117 ROI 0.8827
1118 1X7 0.8827
1119 APS 0.8827
1120 C2B 0.8827
1121 HGQ 0.8826
1122 4J8 0.8826
1123 5WU 0.8825
1124 51F 0.8824
1125 TBP 0.8824
1126 MHK 0.8823
1127 SFU 0.8822
1128 1AL 0.8822
1129 FPK 0.8822
1130 H3M 0.8822
1131 GLY PRO 0.8822
1132 DA4 0.8820
1133 XSP 0.8819
1134 ECE 0.8819
1135 HSE 0.8817
1136 DAS 0.8816
1137 M6W 0.8815
1138 3AY 0.8813
1139 JZ5 0.8813
1140 PIM 0.8812
1141 DZX 0.8811
1142 HEW 0.8811
1143 SR1 0.8810
1144 X8D 0.8810
1145 CAQ 0.8810
1146 285 0.8810
1147 URS 0.8809
1148 AX2 0.8808
1149 FLV 0.8808
1150 5ZE 0.8807
1151 QMP 0.8807
1152 259 0.8807
1153 9TY 0.8805
1154 CH9 0.8804
1155 DHR 0.8803
1156 PZM 0.8802
1157 4FA 0.8802
1158 GVG 0.8802
1159 HLD 0.8801
1160 TT4 0.8801
1161 LG4 0.8801
1162 R20 0.8800
1163 HC4 0.8799
1164 6FZ 0.8799
1165 OHG 0.8799
1166 UY7 0.8798
1167 K22 0.8798
1168 OXE 0.8797
1169 32O 0.8795
1170 1DU 0.8794
1171 PLQ 0.8794
1172 HQE 0.8793
1173 AY4 0.8793
1174 XXG 0.8792
1175 15N 0.8792
1176 4PW 0.8789
1177 OTR 0.8788
1178 1IT 0.8787
1179 AKG 0.8787
1180 AMG 0.8785
1181 C9E 0.8785
1182 280 0.8785
1183 6XI 0.8784
1184 ERH 0.8784
1185 226 0.8784
1186 06B 0.8782
1187 2ZX 0.8779
1188 GJP 0.8777
1189 KDF 0.8777
1190 6BL 0.8777
1191 CIG 0.8773
1192 M3T 0.8773
1193 DTL 0.8772
1194 4RU 0.8771
1195 AJY 0.8771
1196 BEW 0.8771
1197 GYP 0.8770
1198 HA5 0.8769
1199 0W1 0.8769
1200 GCO 0.8767
1201 A09 0.8767
1202 PCR 0.8765
1203 2CH 0.8764
1204 5NS 0.8762
1205 3V4 0.8760
1206 CEE 0.8760
1207 6JN 0.8758
1208 ICC 0.8757
1209 3GQ 0.8756
1210 PBA 0.8752
1211 8K2 0.8752
1212 AEF 0.8751
1213 92Z 0.8750
1214 FPN 0.8750
1215 091 0.8750
1216 KIV 0.8749
1217 PSJ 0.8747
1218 ARP 0.8745
1219 8LG 0.8745
1220 DUC 0.8745
1221 PXY 0.8744
1222 FLC 0.8744
1223 MAK 0.8743
1224 4XX 0.8742
1225 DA1 0.8741
1226 M3H 0.8740
1227 AX3 0.8740
1228 BPN 0.8740
1229 EOL 0.8739
1230 FHN 0.8738
1231 PBR 0.8736
1232 LAO 0.8735
1233 1AN 0.8735
1234 263 0.8734
1235 L89 0.8734
1236 JYB 0.8733
1237 35C 0.8733
1238 25R 0.8731
1239 2AF 0.8729
1240 0V5 0.8728
1241 PEQ 0.8728
1242 B3R 0.8727
1243 DX3 0.8727
1244 4CH 0.8727
1245 1HN 0.8726
1246 CDV 0.8726
1247 DNC 0.8725
1248 60Q 0.8724
1249 12T 0.8724
1250 0GZ 0.8723
1251 9X7 0.8722
1252 HQ9 0.8721
1253 463 0.8719
1254 FP2 0.8719
1255 6HQ 0.8709
1256 PEP 0.8707
1257 GLO 0.8706
1258 BPU 0.8706
1259 HTS 0.8705
1260 Q77 0.8704
1261 H6B 0.8703
1262 6X8 0.8702
1263 HPY 0.8701
1264 2AS 0.8701
1265 93Q 0.8701
1266 ESI 0.8701
1267 E7S 0.8701
1268 JAB 0.8700
1269 NK2 0.8700
1270 76X 0.8700
1271 SLC 0.8699
1272 3HP 0.8698
1273 LDR 0.8697
1274 NXA 0.8694
1275 GSY 0.8692
1276 938 0.8690
1277 E1T 0.8687
1278 9ZE 0.8684
1279 E35 0.8684
1280 APG 0.8682
1281 RD4 0.8680
1282 BML 0.8680
1283 YRL 0.8679
1284 P84 0.8679
1285 GF4 0.8679
1286 PIY 0.8678
1287 4HS 0.8678
1288 NCT 0.8674
1289 8W9 0.8671
1290 FSW 0.8670
1291 278 0.8669
1292 RJY 0.8668
1293 1DQ 0.8668
1294 EPR 0.8667
1295 269 0.8665
1296 J6W 0.8665
1297 HHH 0.8664
1298 ICB 0.8664
1299 4AV 0.8658
1300 KYA 0.8657
1301 9FE 0.8656
1302 0FK 0.8655
1303 8HC 0.8655
1304 18N 0.8648
1305 3QV 0.8647
1306 0XT 0.8646
1307 VAL 0.8643
1308 28N 0.8643
1309 4BZ 0.8642
1310 NAG 0.8641
1311 CIZ 0.8639
1312 449 0.8638
1313 QUS 0.8636
1314 TCZ 0.8635
1315 DTU 0.8633
1316 FLA 0.8631
1317 XDE 0.8630
1318 JZ0 0.8630
1319 4JN 0.8630
1320 HHQ 0.8629
1321 JND 0.8628
1322 GP9 0.8627
1323 8XL 0.8626
1324 EN1 0.8624
1325 27B 0.8622
1326 SN4 0.8617
1327 6R8 0.8615
1328 MAJ 0.8614
1329 9AP 0.8612
1330 LZ2 0.8605
1331 G12 0.8595
1332 PEZ 0.8593
1333 SLS 0.8593
1334 IUP 0.8592
1335 PSV 0.8590
1336 BPY 0.8589
1337 OTD 0.8586
1338 CBF 0.8585
1339 6KT 0.8581
1340 30G 0.8574
1341 ESX 0.8571
1342 E3D 0.8571
1343 DNA 0.8567
1344 3C2 0.8565
1345 BNF 0.8560
1346 CYH 0.8558
1347 HAI 0.8556
1348 PJW 0.8539
1349 428 0.8533
1350 I3E 0.8531
1351 OGA 0.8528
1352 CXL 0.8528
1353 X8Z 0.8522
1354 EGR 0.8510
Ligand no: 2; Ligand: PRP; Similar ligands found: 8
No: Ligand Similarity coefficient
1 PCP 0.9849
2 1RB 0.8784
3 7RP 0.8765
4 7RA 0.8712
5 AAM 0.8705
6 P2P 0.8678
7 RMB 0.8657
8 RBZ 0.8635
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
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