Receptor
PDB id Resolution Class Description Source Keywords
4owu 1.89 Å EC: 2.4.2.18 ANTHRANILATE PHOSPHORIBOSYL TRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 5-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
5M0 B:404;
A:404;
 Valid;
Valid;
 none;
none;
 submit data
151.163 C8 H9 N O2 Cc1cc...
GOL B:405;
A:405;
A:407;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
PRP A:403;
B:403;
 Valid;
Valid;
 none;
none;
 submit data
390.07 C5 H13 O14 P3 C([C@...
IMD A:406;
B:406;
 Invalid;
Invalid;
 none;
none;
 submit data
69.085 C3 H5 N2 c1c[n...
MG B:402;
A:401;
A:402;
B:401;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
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: 5M0; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 5M0 1 1
2 4M0 0.526316 1
3 5RG 0.5 0.821429
4 SX1 0.487179 0.821429
5 3M0 0.425 1
6 BE2 0.405405 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: 5M0; Similar ligands found: 1310
No: Ligand Similarity coefficient
1 6CS 1.0000
2 54G 1.0000
3 GTQ 1.0000
4 9TZ 0.9986
5 5MK 0.9972
6 G3F 0.9797
7 8S0 0.9792
8 BGC 0.9789
9 4CS 0.9776
10 1P7 0.9766
11 GCS 0.9760
12 SAL 0.9743
13 8GC 0.9721
14 3NT 0.9720
15 NMJ 0.9713
16 UNC 0.9712
17 3U4 0.9711
18 FOT 0.9705
19 IJZ 0.9701
20 JBE 0.9693
21 ES6 0.9693
22 GAB 0.9691
23 HJP 0.9687
24 3HB 0.9685
25 4SV 0.9682
26 CWS 0.9680
27 E7Z 0.9672
28 0P6 0.9668
29 GYE 0.9667
30 JKE 0.9666
31 3Z7 0.9666
32 G5V 0.9665
33 HXX 0.9663
34 C2U 0.9658
35 3DO 0.9649
36 XYP 0.9648
37 GLC 0.9643
38 EYK 0.9642
39 KUF 0.9642
40 5HN 0.9641
41 1WD 0.9639
42 WCE 0.9635
43 BRT 0.9628
44 3MB 0.9627
45 OVV 0.9626
46 3AB 0.9625
47 AHR 0.9625
48 53C 0.9624
49 LGC 0.9620
50 EA1 0.9618
51 3R6 0.9617
52 7NI 0.9617
53 OVM 0.9615
54 7WV 0.9605
55 42C 0.9602
56 4Z4 0.9601
57 3BZ 0.9599
58 DBX 0.9594
59 1DW 0.9592
60 4M4 0.9592
61 Q6T 0.9591
62 3OC 0.9589
63 9MG 0.9589
64 5B1 0.9588
65 I3A 0.9587
66 5OB 0.9584
67 8CM 0.9583
68 3Z8 0.9576
69 SVN 0.9570
70 1LQ 0.9569
71 AKH 0.9568
72 ES1 0.9566
73 4ZC 0.9560
74 HHA 0.9559
75 OW4 0.9559
76 7HQ 0.9559
77 IP0 0.9559
78 5RN 0.9556
79 6M9 0.9555
80 N5J 0.9551
81 JBK 0.9549
82 DIU 0.9549
83 JPZ 0.9548
84 3HA 0.9548
85 5Q0 0.9547
86 V55 0.9547
87 DBH 0.9546
88 FE DB1 0.9546
89 3F0 0.9544
90 1SQ 0.9541
91 6MP 0.9541
92 GAL 0.9540
93 RM1 0.9540
94 39A 0.9537
95 5SG 0.9536
96 5IQ 0.9536
97 9EW 0.9536
98 ADK 0.9535
99 KBB 0.9535
100 M0Q 0.9532
101 MWP 0.9531
102 1P3 0.9528
103 PM6 0.9528
104 9DA 0.9528
105 F05 0.9528
106 COU 0.9528
107 XX2 0.9527
108 H42 0.9526
109 25W 0.9524
110 ASC 0.9523
111 EUG 0.9523
112 BP1 0.9523
113 F0J 0.9522
114 HH8 0.9522
115 7HP 0.9521
116 9HX 0.9520
117 M1A 0.9517
118 3MA 0.9517
119 4YS 0.9515
120 7VS 0.9515
121 3SK 0.9514
122 4NC 0.9513
123 DBJ 0.9512
124 G6D 0.9511
125 L3Q 0.9511
126 HPA 0.9509
127 2AQ 0.9508
128 KT7 0.9507
129 HLZ 0.9507
130 10L 0.9506
131 6M4 0.9505
132 OCH 0.9504
133 BDP 0.9501
134 Q88 0.9499
135 HQY 0.9499
136 0RW 0.9499
137 42A 0.9498
138 LZM 0.9497
139 JBH 0.9496
140 ASO 0.9496
141 4HM 0.9495
142 4FS 0.9495
143 7B4 0.9494
144 M2K 0.9490
145 1NP 0.9490
146 4XH 0.9485
147 03V 0.9484
148 ADE 0.9483
149 JB5 0.9481
150 7WA 0.9478
151 IFL 0.9476
152 ADZ 0.9476
153 BTE 0.9475
154 ES4 0.9474
155 BZX 0.9472
156 ICO 0.9471
157 MYJ 0.9467
158 P9P 0.9467
159 CWM 0.9465
160 HZQ 0.9465
161 ES5 0.9463
162 24W 0.9460
163 2HQ 0.9460
164 495 0.9458
165 FA0 0.9456
166 XAN 0.9455
167 SRO 0.9454
168 DHB 0.9453
169 B60 0.9453
170 ES0 0.9451
171 NOJ 0.9449
172 A7W 0.9449
173 GRE 0.9448
174 GUN 0.9447
175 12Q 0.9446
176 AZA 0.9445
177 G2F 0.9444
178 67N 0.9443
179 9DG 0.9443
180 X09 0.9440
181 XYL 0.9440
182 SHA 0.9438
183 5CU 0.9438
184 VNJ 0.9437
185 LXC 0.9437
186 GCU 0.9436
187 KYD 0.9436
188 2ZQ 0.9435
189 IV2 0.9435
190 LCN 0.9434
191 86J 0.9432
192 7ZE 0.9431
193 HQT 0.9431
194 VNL 0.9430
195 2D0 0.9429
196 MT0 0.9428
197 XLS 0.9427
198 1XN 0.9427
199 DOB 0.9427
200 XQG 0.9426
201 OXC 0.9425
202 BZ3 0.9425
203 5H1 0.9424
204 AZ8 0.9423
205 MEW 0.9423
206 F5B 0.9422
207 KBG 0.9421
208 O72 0.9421
209 2HO 0.9421
210 A2F 0.9419
211 INO 0.9417
212 2ZV 0.9416
213 R8S 0.9416
214 CHB 0.9416
215 5WY 0.9416
216 QSB 0.9413
217 IGA 0.9413
218 15L 0.9412
219 14O 0.9412
220 KJH 0.9410
221 NNO 0.9409
222 7W1 0.9409
223 N8Y 0.9409
224 SHG 0.9405
225 FHB 0.9404
226 93K 0.9403
227 PE0 0.9401
228 LKA 0.9401
229 6AP 0.9400
230 QUZ 0.9397
231 5QX 0.9395
232 F60 0.9395
233 4A3 0.9394
234 141 0.9393
235 JBQ 0.9393
236 NOY 0.9392
237 AZG 0.9392
238 3HM 0.9392
239 23A 0.9392
240 FRU 0.9392
241 6F0 0.9389
242 6M1 0.9386
243 9TW 0.9386
244 JLZ 0.9386
245 J9W 0.9384
246 4HC 0.9383
247 TTL 0.9383
248 ORO 0.9382
249 1LM 0.9381
250 DNF 0.9380
251 MAQ 0.9379
252 JAE 0.9379
253 OVP 0.9377
254 M5K 0.9377
255 Q24 0.9376
256 DIN 0.9374
257 3WA 0.9374
258 PDC 0.9374
259 AJ2 0.9373
260 4JT 0.9372
261 KKN 0.9372
262 NK 0.9370
263 5NU 0.9369
264 APZ 0.9368
265 1XM 0.9368
266 LT2 0.9367
267 5MB 0.9366
268 C2A 0.9366
269 2CK 0.9365
270 DMD 0.9363
271 6AI 0.9363
272 NPY 0.9363
273 1PT 0.9363
274 ES9 0.9362
275 AQO 0.9361
276 3XX 0.9360
277 GCB 0.9358
278 32X 0.9358
279 DHQ 0.9358
280 YH7 0.9358
281 34D 0.9358
282 3ID 0.9357
283 EXO 0.9356
284 MRW 0.9355
285 EVA 0.9354
286 6LW 0.9354
287 R8V 0.9354
288 329 0.9352
289 6PC 0.9352
290 5XC 0.9350
291 XXR 0.9350
292 FK1 0.9349
293 AW5 0.9348
294 290 0.9347
295 SWD 0.9346
296 DRL 0.9345
297 RIB 0.9342
298 5WV 0.9341
299 2K4 0.9341
300 BHA 0.9340
301 XQ0 0.9340
302 JZ3 0.9340
303 3PF 0.9340
304 5MI 0.9339
305 G3E 0.9339
306 H4N 0.9338
307 KOJ 0.9331
308 ISN 0.9331
309 DOR 0.9330
310 FB1 0.9330
311 0W8 0.9328
312 SKA 0.9328
313 SOR 0.9327
314 SJ5 0.9327
315 NDM 0.9324
316 PXL 0.9324
317 BOA 0.9324
318 J9T 0.9321
319 3IT 0.9321
320 GIO 0.9320
321 51R 0.9319
322 NCD 0.9318
323 T9G 0.9318
324 KJU 0.9317
325 IFM 0.9316
326 ES7 0.9316
327 GLT 0.9315
328 11S 0.9314
329 IHB 0.9313
330 RB5 0.9310
331 5WX 0.9310
332 M6N 0.9309
333 ALL 0.9309
334 2DR 0.9309
335 M1Q 0.9308
336 FEH 0.9307
337 CFP 0.9307
338 DX4 0.9306
339 MUA 0.9306
340 OAA 0.9306
341 FBV 0.9305
342 TIU 0.9305
343 7W4 0.9304
344 2H5 0.9301
345 2MN 0.9300
346 5QY 0.9299
347 LSA 0.9298
348 SVD 0.9297
349 SXS 0.9297
350 UAN 0.9297
351 PYQ 0.9296
352 NCA 0.9296
353 GCW 0.9295
354 WOO 0.9295
355 8WT 0.9293
356 BEZ 0.9292
357 BAM 0.9288
358 KJY 0.9285
359 GIF 0.9283
360 60P 0.9283
361 MO8 0.9279
362 YCP 0.9279
363 JUG 0.9277
364 F12 0.9277
365 FUL 0.9276
366 AZ9 0.9276
367 RXA 0.9275
368 173 0.9275
369 FYU 0.9275
370 D1X 0.9275
371 92K 0.9272
372 M1E 0.9271
373 GZL 0.9270
374 4MU 0.9270
375 S76 0.9269
376 4ME 0.9268
377 2EC 0.9268
378 AL0 0.9265
379 GBD 0.9265
380 CN0 0.9264
381 EQT 0.9263
382 F31 0.9263
383 BEN 0.9263
384 OMD 0.9263
385 SYG 0.9263
386 R8A 0.9262
387 2AL 0.9261
388 NID 0.9260
389 INE 0.9259
390 2XX 0.9255
391 DFB 0.9255
392 VGD 0.9251
393 IPZ 0.9250
394 4AA 0.9248
395 QPR 0.9248
396 0CU 0.9248
397 TOF 0.9246
398 HIO 0.9246
399 MNN 0.9245
400 YQA 0.9244
401 NQ 0.9244
402 GDE 0.9244
403 0R0 0.9243
404 FP1 0.9240
405 TAR 0.9239
406 DHK 0.9239
407 82I 0.9238
408 286 0.9238
409 GAG 0.9238
410 JIF 0.9237
411 XYS 0.9237
412 NIO 0.9235
413 8EZ 0.9234
414 G1O 0.9234
415 HQD 0.9234
416 XCZ 0.9233
417 1DJ 0.9232
418 4XR 0.9232
419 SWA 0.9231
420 BHO 0.9231
421 SRT 0.9230
422 SE2 0.9230
423 0F9 0.9230
424 3MG 0.9229
425 6GU 0.9228
426 FDB 0.9228
427 5RO 0.9228
428 X05 0.9227
429 QWN 0.9226
430 DPZ 0.9225
431 4ZE 0.9223
432 QAT 0.9223
433 ES2 0.9223
434 7VJ 0.9223
435 II6 0.9222
436 TEP 0.9222
437 D48 0.9222
438 37T 0.9221
439 2LP 0.9221
440 MR1 0.9221
441 TH7 0.9221
442 1P8 0.9220
443 NBZ 0.9220
444 PZA 0.9220
445 RSF 0.9219
446 SS1 0.9219
447 7N0 0.9218
448 MLT 0.9218
449 AGK 0.9216
450 YSO 0.9215
451 O7U 0.9215
452 GOX 0.9214
453 J5I 0.9214
454 FBW 0.9213
455 ABV 0.9213
456 SYV 0.9212
457 JZ1 0.9212
458 IDM 0.9211
459 5GU 0.9211
460 069 0.9211
461 NIZ 0.9211
462 2CQ 0.9210
463 RNS 0.9209
464 VK3 0.9208
465 7MU 0.9208
466 FBB 0.9208
467 GJS 0.9207
468 BCP 0.9207
469 URF 0.9207
470 OW7 0.9206
471 MWM 0.9206
472 DEN 0.9206
473 NTZ 0.9206
474 RNT 0.9205
475 X6X 0.9205
476 HA7 0.9204
477 3NY 0.9204
478 1GN 0.9203
479 CTS 0.9202
480 DIE 0.9202
481 PBC 0.9201
482 C2Y 0.9200
483 GM7 0.9200
484 NDH 0.9200
485 1WG 0.9200
486 URC 0.9200
487 CTL 0.9199
488 JA8 0.9199
489 BEA 0.9198
490 8NY 0.9198
491 24B 0.9198
492 12M 0.9197
493 BTY 0.9194
494 2A7 0.9194
495 Z5P 0.9193
496 2YU 0.9192
497 12B 0.9192
498 ET2 0.9192
499 1LN 0.9192
500 8OZ 0.9190
501 47J 0.9190
502 8ZE 0.9189
503 HY3 0.9189
504 NTM 0.9187
505 MCT 0.9186
506 RMN 0.9185
507 AZF 0.9185
508 MWJ 0.9184
509 TLA 0.9183
510 RAM 0.9183
511 SKM 0.9182
512 QSC 0.9181
513 5AC 0.9181
514 75K 0.9180
515 IPB 0.9178
516 WBU 0.9178
517 HX3 0.9178
518 MZG 0.9177
519 HMH 0.9177
520 BMA 0.9176
521 B55 0.9176
522 HH5 0.9175
523 CFF 0.9175
524 XBZ 0.9174
525 PD2 0.9173
526 TM7 0.9173
527 7ME 0.9173
528 UNU 0.9173
529 0N7 0.9173
530 3FH 0.9173
531 4CL 0.9172
532 45L 0.9172
533 JND 0.9171
534 2PG 0.9168
535 GLA 0.9168
536 0LH 0.9168
537 BCU 0.9168
538 LNR 0.9167
539 150 0.9167
540 VGL 0.9167
541 XSP 0.9166
542 XM0 0.9166
543 4HO 0.9165
544 2LY 0.9165
545 BZI 0.9165
546 QXW 0.9165
547 G4D 0.9164
548 92P 0.9164
549 36R 0.9164
550 ISE 0.9164
551 CFI 0.9163
552 PA1 0.9163
553 IND 0.9163
554 QOS 0.9162
555 2AK 0.9162
556 PHT 0.9162
557 NTN 0.9162
558 LFR 0.9161
559 AX7 0.9161
560 270 0.9161
561 K2T 0.9161
562 BK9 0.9160
563 2AC 0.9160
564 BR9 0.9160
565 KLW 0.9159
566 BE7 0.9159
567 5JC 0.9158
568 A1U 0.9157
569 BSX 0.9157
570 2MP 0.9155
571 275 0.9155
572 K5W 0.9155
573 UEG 0.9154
574 LMR 0.9154
575 OXQ 0.9154
576 CLW 0.9153
577 TDR 0.9153
578 VOH 0.9152
579 HT4 0.9152
580 XYD 0.9151
581 ZXD 0.9151
582 1AL 0.9150
583 34A 0.9150
584 4JJ 0.9149
585 JZ9 0.9149
586 AJV 0.9148
587 5JQ 0.9148
588 TH0 0.9148
589 ISZ 0.9148
590 23J 0.9148
591 QX2 0.9146
592 149 0.9145
593 8TX 0.9144
594 DYA 0.9144
595 8G0 0.9143
596 QWW 0.9143
597 JZ2 0.9141
598 OXZ 0.9141
599 7WR 0.9141
600 6VD 0.9141
601 GLF 0.9139
602 AFR 0.9139
603 GTR 0.9138
604 091 0.9138
605 AC0 0.9137
606 9PY 0.9137
607 ODO 0.9137
608 GZ8 0.9136
609 HMU 0.9135
610 6NT 0.9134
611 PYD 0.9133
612 ICP 0.9133
613 5VM 0.9133
614 UFO 0.9133
615 94B 0.9132
616 27Y 0.9130
617 SOE 0.9130
618 LRH 0.9128
619 BZF 0.9128
620 ROR 0.9127
621 1MC 0.9127
622 XAZ 0.9126
623 0HO 0.9125
624 INS 0.9124
625 DIG 0.9123
626 FBM 0.9122
627 MXN 0.9121
628 EKZ 0.9121
629 TEO 0.9121
630 2FG 0.9119
631 N2I 0.9118
632 43M 0.9118
633 MS9 0.9117
634 LZ1 0.9116
635 0R1 0.9116
636 2MI 0.9116
637 FH2 0.9115
638 3DM 0.9114
639 DMJ 0.9114
640 0HN 0.9114
641 HNQ 0.9114
642 ZWZ 0.9113
643 GVH 0.9113
644 261 0.9112
645 MPI 0.9112
646 M2H 0.9111
647 F4Z 0.9111
648 TRA 0.9110
649 7MH 0.9110
650 0JD 0.9109
651 PCA 0.9108
652 D07 0.9107
653 QSH 0.9107
654 H76 0.9106
655 4RW 0.9106
656 QBK 0.9106
657 T6C 0.9106
658 2FY 0.9105
659 URQ 0.9105
660 0FO 0.9105
661 P92 0.9104
662 X0V 0.9104
663 5UC 0.9103
664 LDP 0.9103
665 B62 0.9102
666 FBT 0.9101
667 R9S 0.9101
668 FGZ 0.9100
669 HLR 0.9100
670 SS2 0.9099
671 H7Y 0.9098
672 A29 0.9098
673 RSO 0.9098
674 IFP 0.9097
675 DNC 0.9097
676 MAN 0.9095
677 4NG 0.9094
678 A13 0.9094
679 TSS 0.9094
680 5MH 0.9093
681 7CZ 0.9093
682 QDK 0.9091
683 MNM 0.9091
684 5JL 0.9091
685 0CT 0.9091
686 B53 0.9091
687 TTY 0.9089
688 2RH 0.9088
689 QAS 0.9088
690 F9Y 0.9088
691 4FH 0.9088
692 FDK 0.9086
693 948 0.9085
694 MZB 0.9085
695 GOG 0.9084
696 PXM 0.9083
697 JFD 0.9083
698 PRZ 0.9082
699 ARB 0.9082
700 284 0.9081
701 45C 0.9080
702 226 0.9080
703 2ZM 0.9079
704 NPO 0.9079
705 ZZT 0.9078
706 NFQ 0.9076
707 2HU 0.9076
708 JZ4 0.9076
709 HQ9 0.9074
710 4JP 0.9074
711 5CL 0.9074
712 FLV 0.9074
713 TC7 0.9073
714 J9Q 0.9073
715 MBG 0.9072
716 4SX 0.9072
717 COI 0.9071
718 OA3 0.9071
719 FPK 0.9071
720 4TU 0.9070
721 P3K 0.9070
722 8IG 0.9069
723 GV9 0.9069
724 RCO 0.9069
725 SF9 0.9066
726 RPQ 0.9066
727 URA 0.9065
728 MQN 0.9063
729 BNS 0.9063
730 Y8I 0.9062
731 TLD 0.9059
732 4YO 0.9059
733 IF7 0.9058
734 PZI 0.9058
735 SMN 0.9057
736 AH8 0.9057
737 6ME 0.9057
738 9FL 0.9056
739 1U6 0.9056
740 PHB 0.9055
741 ASP 0.9055
742 GIV 0.9054
743 O2A 0.9054
744 I1N 0.9053
745 97T 0.9053
746 FUC 0.9052
747 ONR 0.9051
748 B57 0.9051
749 IT2 0.9051
750 RM4 0.9048
751 YIO 0.9048
752 R9Y 0.9048
753 PAF 0.9046
754 GOO 0.9046
755 I1E 0.9045
756 9KH 0.9044
757 JFJ 0.9043
758 FA1 0.9042
759 F81 0.9042
760 3CH 0.9042
761 FX1 0.9041
762 OTW 0.9041
763 MT5 0.9040
764 14J 0.9040
765 TSR 0.9038
766 8XQ 0.9038
767 XHP 0.9037
768 KDV 0.9037
769 DQU 0.9037
770 PFB 0.9037
771 CRS 0.9035
772 HIS 0.9034
773 LG3 0.9034
774 4JO 0.9033
775 8H8 0.9033
776 F9P 0.9032
777 BDF 0.9030
778 4JQ 0.9030
779 SD4 0.9029
780 0TR 0.9028
781 GXY 0.9027
782 1F1 0.9027
783 4P0 0.9026
784 GXL 0.9025
785 I2M 0.9024
786 JXN 0.9024
787 DGJ 0.9024
788 44V 0.9024
789 XIY 0.9023
790 FCA 0.9019
791 9RW 0.9018
792 PEY 0.9018
793 FCB 0.9018
794 5NI 0.9018
795 0MK 0.9018
796 M58 0.9017
797 NVU 0.9017
798 0TU 0.9017
799 LG5 0.9017
800 44W 0.9016
801 26D 0.9016
802 2BG 0.9016
803 ZVO 0.9015
804 RJY 0.9013
805 IDH 0.9012
806 DFU 0.9010
807 CYT 0.9008
808 AEH 0.9007
809 ABI 0.9007
810 28N 0.9007
811 HBD 0.9006
812 D3M 0.9005
813 RIP 0.9004
814 XUL 0.9003
815 DTL 0.9002
816 8WO 0.9001
817 9R5 0.9001
818 3A9 0.9000
819 ADA 0.9000
820 NGO 0.8999
821 8W9 0.8999
822 M0W 0.8997
823 CLZ 0.8996
824 EOL 0.8990
825 MFB 0.8990
826 35C 0.8988
827 PEZ 0.8988
828 GAF 0.8987
829 5AN 0.8987
830 52C 0.8986
831 BVF 0.8986
832 4XV 0.8985
833 6NI 0.8985
834 HFB 0.8985
835 AN0 0.8984
836 6UA 0.8984
837 Z82 0.8984
838 3RK 0.8983
839 3AL 0.8982
840 2TQ 0.8982
841 KFH 0.8982
842 P72 0.8982
843 SF6 0.8981
844 H62 0.8980
845 39O 0.8980
846 L99 0.8980
847 PAB 0.8979
848 6R8 0.8977
849 FLM 0.8977
850 IUR 0.8976
851 GT0 0.8975
852 QIC 0.8974
853 CWJ 0.8972
854 293 0.8972
855 HA5 0.8970
856 EJZ 0.8970
857 AC6 0.8969
858 VXX 0.8969
859 BBF 0.8969
860 6RQ 0.8967
861 PMB 0.8967
862 7B3 0.8966
863 BR8 0.8966
864 1Y6 0.8965
865 TZE 0.8964
866 ZZ3 0.8964
867 N8P 0.8963
868 FPY 0.8962
869 MBD 0.8962
870 TAG 0.8961
871 FAN 0.8959
872 IBF 0.8959
873 9CA 0.8958
874 AUD 0.8958
875 64K 0.8956
876 NSP 0.8955
877 MVN 0.8954
878 FB2 0.8954
879 PHU 0.8953
880 QX4 0.8953
881 PFL 0.8953
882 ARA 0.8952
883 0FK 0.8952
884 KIB 0.8952
885 13X 0.8951
886 6JN 0.8951
887 KPL 0.8950
888 AMC 0.8949
889 DA4 0.8947
890 2FQ 0.8947
891 9KT 0.8946
892 EDG 0.8945
893 94W 0.8945
894 FHN 0.8942
895 KTA 0.8941
896 BCF 0.8938
897 NEQ 0.8937
898 PBA 0.8936
899 6MH 0.8936
900 PQ0 0.8936
901 AHB 0.8935
902 AIN 0.8934
903 1M2 0.8934
904 FBU 0.8933
905 AS3 0.8933
906 ZBT 0.8932
907 680 0.8931
908 AX2 0.8931
909 JTH 0.8931
910 PYG 0.8930
911 TPA 0.8930
912 HQJ 0.8929
913 5NE 0.8929
914 HLD 0.8928
915 826 0.8928
916 4P5 0.8927
917 OHP 0.8926
918 8GF 0.8926
919 B3R 0.8926
920 DHS 0.8925
921 PAC 0.8924
922 2MY 0.8924
923 DEE 0.8923
924 HY1 0.8922
925 1AB 0.8921
926 JAW 0.8921
927 SYA 0.8921
928 GRO 0.8920
929 FUD 0.8920
930 PEQ 0.8919
931 HGQ 0.8919
932 SR1 0.8918
933 717 0.8917
934 PBZ 0.8916
935 CIT 0.8916
936 PHH 0.8915
937 6BL 0.8915
938 TWO 0.8915
939 GTL 0.8914
940 M4E 0.8914
941 GCO 0.8913
942 0FN 0.8913
943 Q7A 0.8913
944 SIF 0.8912
945 XBT 0.8912
946 M3T 0.8912
947 RBL 0.8911
948 4MA 0.8911
949 15N 0.8911
950 4AV 0.8910
951 4H2 0.8910
952 282 0.8910
953 3SL 0.8910
954 CBF 0.8909
955 463 0.8909
956 M1H 0.8909
957 1IT 0.8907
958 209 0.8907
959 EDR 0.8907
960 LYL 0.8905
961 2C9 0.8905
962 MVL 0.8905
963 4XS 0.8904
964 ICF 0.8903
965 X8D 0.8903
966 HEW 0.8903
967 IPM 0.8901
968 JKZ 0.8900
969 ZZ8 0.8900
970 TFU 0.8899
971 MSN 0.8899
972 3ZQ 0.8899
973 DQN 0.8897
974 7D2 0.8897
975 MFU 0.8897
976 FUF 0.8896
977 HKD 0.8896
978 FBG 0.8896
979 CIG 0.8896
980 1XX 0.8894
981 DQA 0.8893
982 CRN 0.8893
983 42J 0.8892
984 KIA 0.8892
985 RD4 0.8891
986 GTZ 0.8891
987 3AY 0.8891
988 PRY 0.8889
989 GMN 0.8888
990 3FA 0.8887
991 3MC 0.8887
992 HTP 0.8886
993 3CE 0.8886
994 TBP 0.8885
995 FFP 0.8883
996 GLY PRO 0.8883
997 GIM 0.8882
998 ZB1 0.8881
999 8GK 0.8881
1000 SW7 0.8880
1001 LI6 0.8880
1002 2CM 0.8880
1003 MB1 0.8880
1004 SAF 0.8879
1005 DUB 0.8879
1006 2A9 0.8878
1007 WDL 0.8878
1008 5ZE 0.8878
1009 MHK 0.8877
1010 FQI 0.8876
1011 95Z 0.8875
1012 PEP 0.8875
1013 174 0.8872
1014 PRF 0.8871
1015 1DV 0.8871
1016 9FE 0.8870
1017 1KP 0.8870
1018 30G 0.8870
1019 7MX 0.8869
1020 8HC 0.8868
1021 RHU 0.8867
1022 2ZX 0.8865
1023 K17 0.8865
1024 DHR 0.8865
1025 ABE 0.8864
1026 PSV 0.8864
1027 BNT 0.8864
1028 OK7 0.8863
1029 URP 0.8863
1030 23W 0.8862
1031 FPI 0.8860
1032 ENL 0.8859
1033 EV0 0.8859
1034 0GZ 0.8858
1035 FUB 0.8855
1036 TBS 0.8855
1037 KDF 0.8855
1038 HHR 0.8855
1039 61M 0.8853
1040 ICT 0.8852
1041 1X7 0.8852
1042 HBX 0.8852
1043 H33 0.8851
1044 FA3 0.8851
1045 ABN 0.8851
1046 HBA 0.8848
1047 LDR 0.8847
1048 I6G 0.8845
1049 F3B 0.8844
1050 TGX 0.8843
1051 8VN 0.8843
1052 PH2 0.8843
1053 MJ2 0.8842
1054 ERH 0.8842
1055 PCI 0.8842
1056 6OT 0.8842
1057 15E 0.8841
1058 PBE 0.8840
1059 40O 0.8840
1060 ZYR 0.8840
1061 9TY 0.8839
1062 KP6 0.8839
1063 DUC 0.8839
1064 UFV 0.8838
1065 3R9 0.8837
1066 AJY 0.8837
1067 HHQ 0.8837
1068 QUS 0.8835
1069 PKU 0.8835
1070 NK2 0.8834
1071 PY7 0.8832
1072 MRZ 0.8831
1073 OTD 0.8830
1074 JYB 0.8829
1075 3BU 0.8827
1076 YTB 0.8825
1077 GCV 0.8824
1078 QY9 0.8824
1079 AEZ 0.8820
1080 40E 0.8819
1081 APG 0.8818
1082 Q02 0.8817
1083 SYN 0.8816
1084 PYF 0.8816
1085 AMG 0.8816
1086 KIV 0.8814
1087 ASN 0.8813
1088 CAQ 0.8813
1089 CIZ 0.8812
1090 HSE 0.8811
1091 B2J 0.8810
1092 JB8 0.8807
1093 J1Z 0.8807
1094 5XB 0.8806
1095 L5V 0.8804
1096 JDN 0.8804
1097 N2Z 0.8804
1098 2PC 0.8804
1099 2AS 0.8803
1100 B5D 0.8803
1101 IAC 0.8803
1102 2CL 0.8803
1103 APY 0.8803
1104 E1T 0.8802
1105 BSP 0.8802
1106 51F 0.8801
1107 EMZ 0.8799
1108 MAK 0.8797
1109 AEF 0.8797
1110 C9E 0.8795
1111 9AP 0.8795
1112 2SX 0.8792
1113 1QP 0.8792
1114 7WG 0.8790
1115 XRG 0.8790
1116 XXG 0.8790
1117 06B 0.8790
1118 NBE 0.8787
1119 1MR 0.8786
1120 94N 0.8786
1121 4VP 0.8786
1122 3MH 0.8785
1123 N7P 0.8784
1124 4VY 0.8784
1125 R67 0.8783
1126 6TZ 0.8782
1127 SC2 0.8782
1128 A65 0.8781
1129 5DI 0.8780
1130 Q71 0.8780
1131 K3Q 0.8779
1132 C21 0.8778
1133 2F6 0.8775
1134 ESI 0.8775
1135 JXW 0.8775
1136 4WL 0.8774
1137 39U 0.8773
1138 HDH 0.8773
1139 PYJ 0.8773
1140 CXF 0.8772
1141 GLO 0.8767
1142 4VS 0.8767
1143 260 0.8766
1144 CKU 0.8764
1145 265 0.8764
1146 M6Z 0.8763
1147 4A5 0.8763
1148 PQK 0.8763
1149 LEU 0.8763
1150 280 0.8761
1151 20J 0.8761
1152 WOT 0.8760
1153 4KL 0.8758
1154 PX7 0.8757
1155 PRO 0.8757
1156 JZ5 0.8757
1157 1U1 0.8755
1158 2CH 0.8755
1159 XXP 0.8754
1160 AKG 0.8754
1161 1DU 0.8752
1162 4SD 0.8752
1163 6HQ 0.8751
1164 R20 0.8750
1165 AY4 0.8749
1166 OXE 0.8747
1167 5VL 0.8747
1168 BEW 0.8745
1169 8XL 0.8744
1170 GZ3 0.8742
1171 SNE 0.8741
1172 H3M 0.8741
1173 0XT 0.8741
1174 8EW 0.8740
1175 9ZE 0.8740
1176 L7T 0.8740
1177 2AF 0.8740
1178 3C2 0.8738
1179 JZ0 0.8738
1180 KGK 0.8736
1181 32O 0.8735
1182 HPY 0.8734
1183 FCR 0.8733
1184 HTS 0.8731
1185 TT4 0.8731
1186 GJZ 0.8729
1187 BPU 0.8728
1188 UY7 0.8728
1189 FOA 0.8726
1190 P84 0.8724
1191 8LG 0.8723
1192 L89 0.8721
1193 FLC 0.8721
1194 B24 0.8721
1195 K34 0.8720
1196 3C1 0.8720
1197 M5N 0.8719
1198 92Z 0.8718
1199 SMV 0.8718
1200 W81 0.8714
1201 1AN 0.8713
1202 938 0.8712
1203 ITN 0.8711
1204 JF2 0.8710
1205 SLS 0.8710
1206 K22 0.8710
1207 JF1 0.8708
1208 93Q 0.8707
1209 285 0.8707
1210 MZW 0.8704
1211 4PW 0.8703
1212 H6B 0.8703
1213 PYC 0.8703
1214 ARP 0.8701
1215 SDD 0.8699
1216 TCZ 0.8699
1217 TP5 0.8698
1218 K6X 0.8698
1219 FDR 0.8698
1220 JBN 0.8698
1221 J6W 0.8697
1222 PEL 0.8694
1223 MLE 0.8693
1224 1A7 0.8693
1225 4ZA 0.8692
1226 TM4 0.8686
1227 FP2 0.8685
1228 JG8 0.8684
1229 NHG 0.8683
1230 9CL 0.8683
1231 AAS 0.8682
1232 6X8 0.8680
1233 76X 0.8679
1234 9X7 0.8678
1235 AHN 0.8678
1236 APS 0.8677
1237 ORN 0.8674
1238 TZC 0.8672
1239 60Q 0.8667
1240 TSU 0.8666
1241 YHO 0.8665
1242 BZJ 0.8665
1243 CDV 0.8663
1244 G12 0.8663
1245 SAN 0.8662
1246 JU2 0.8660
1247 KTW 0.8658
1248 7I2 0.8658
1249 PEA 0.8657
1250 CH9 0.8656
1251 AX3 0.8656
1252 MMA 0.8653
1253 KYA 0.8653
1254 F1A 0.8652
1255 FLA 0.8651
1256 4JL 0.8651
1257 DHY 0.8650
1258 OTR 0.8649
1259 KDG 0.8649
1260 3HP 0.8647
1261 DX3 0.8647
1262 152 0.8645
1263 THR 0.8645
1264 EN1 0.8644
1265 67X 0.8644
1266 ECE 0.8642
1267 4JM 0.8642
1268 NCT 0.8637
1269 0W1 0.8637
1270 GLY CYS 0.8637
1271 ROI 0.8634
1272 SFU 0.8633
1273 YAN 0.8631
1274 B0D 0.8629
1275 5NS 0.8625
1276 FSW 0.8624
1277 PHE 0.8620
1278 2KA 0.8619
1279 GLU 0.8619
1280 CMS 0.8617
1281 FBA 0.8615
1282 PIM 0.8614
1283 NLA 0.8610
1284 K32 0.8610
1285 ARW 0.8607
1286 0OC 0.8604
1287 13P 0.8602
1288 DAS 0.8602
1289 278 0.8600
1290 4JU 0.8597
1291 Q77 0.8595
1292 ANN 0.8594
1293 PJW 0.8586
1294 E3D 0.8585
1295 K8X 0.8584
1296 E35 0.8584
1297 SEJ 0.8581
1298 MQB 0.8575
1299 JAB 0.8569
1300 GJP 0.8565
1301 JXZ 0.8562
1302 OHG 0.8561
1303 HC4 0.8559
1304 1HN 0.8556
1305 IOM 0.8553
1306 LZ2 0.8550
1307 PIY 0.8542
1308 EGR 0.8541
1309 QM1 0.8535
1310 PLQ 0.8514
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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