Receptor
PDB id Resolution Class Description Source Keywords
4OWO 1.99 Å EC: 2.4.2.18 ANTHRANILATE PHOSPHORIBOSYL TRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 6-FLUOROANTHRANILATE, 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
6F0 B:404;
A:404;
A:405;
B:405;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
155.126 C7 H6 F N O2 c1cc(...
PRP A:403;
B:403;
 Valid;
Valid;
 none;
none;
 submit data
390.07 C5 H13 O14 P3 C([C@...
GOL A:406;
B:406;
A:407;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
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...
IMD B:407;
 Invalid;
 none;
 submit data
69.085 C3 H5 N2 c1c[n...
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: 6F0; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 6F0 1 1
2 6M1 0.513514 0.793103
3 BE2 0.457143 0.821429
4 3F0 0.435897 0.964286
5 92K 0.410256 0.666667
6 3U4 0.405405 0.607143
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: 6F0; Similar ligands found: 1116
No: Ligand Similarity coefficient
1 GRE 1.0000
2 2ZV 1.0000
3 ISE 0.9831
4 SAL 0.9800
5 JBE 0.9744
6 B57 0.9732
7 VNJ 0.9730
8 HHA 0.9720
9 XYP 0.9709
10 G3F 0.9705
11 INS 0.9701
12 JKE 0.9699
13 4SV 0.9698
14 G6D 0.9695
15 25W 0.9689
16 ES6 0.9682
17 3WA 0.9666
18 1WD 0.9665
19 HXX 0.9662
20 EQT 0.9659
21 3M0 0.9656
22 3HA 0.9653
23 G5V 0.9645
24 FBT 0.9644
25 BTE 0.9639
26 SJ5 0.9629
27 KYD 0.9623
28 JBK 0.9618
29 HFB 0.9616
30 DBH 0.9614
31 7WV 0.9608
32 LXC 0.9603
33 FE DB1 0.9594
34 SVN 0.9592
35 IP0 0.9592
36 NOJ 0.9588
37 BGC 0.9576
38 5Q0 0.9564
39 5NU 0.9557
40 JBQ 0.9556
41 3SK 0.9547
42 JUG 0.9539
43 DFB 0.9538
44 B53 0.9531
45 TEP 0.9523
46 IFM 0.9522
47 5SG 0.9516
48 GLC 0.9515
49 XAN 0.9508
50 F5B 0.9507
51 XYS 0.9502
52 8S0 0.9502
53 GUN 0.9499
54 FA0 0.9496
55 AZA 0.9492
56 PCI 0.9492
57 680 0.9487
58 5CU 0.9484
59 3RK 0.9484
60 CN0 0.9482
61 9DG 0.9480
62 HPA 0.9478
63 9EW 0.9478
64 L3Q 0.9476
65 67N 0.9475
66 39A 0.9475
67 32X 0.9474
68 ASO 0.9472
69 7HP 0.9471
70 OXZ 0.9471
71 G1O 0.9471
72 HQY 0.9470
73 7WA 0.9470
74 LCN 0.9470
75 ADE 0.9469
76 IBF 0.9464
77 DQN 0.9463
78 141 0.9462
79 260 0.9459
80 NPY 0.9456
81 M1A 0.9453
82 G2F 0.9450
83 1NP 0.9450
84 1LQ 0.9449
85 F05 0.9448
86 5RG 0.9446
87 24W 0.9446
88 BBF 0.9445
89 9DA 0.9445
90 DOB 0.9445
91 4M0 0.9442
92 GCS 0.9442
93 LGC 0.9439
94 ES1 0.9438
95 GIO 0.9438
96 6MP 0.9438
97 EXO 0.9437
98 IGA 0.9434
99 23A 0.9433
100 JZ3 0.9433
101 QUZ 0.9432
102 6M4 0.9431
103 PYQ 0.9431
104 GCU 0.9431
105 ADK 0.9430
106 JPZ 0.9428
107 FDB 0.9427
108 10L 0.9425
109 A2F 0.9424
110 1SQ 0.9423
111 2CK 0.9422
112 RPQ 0.9420
113 MT5 0.9420
114 HLR 0.9419
115 N5J 0.9418
116 BHA 0.9418
117 BCF 0.9418
118 4YS 0.9417
119 9HX 0.9417
120 6M9 0.9417
121 DHQ 0.9416
122 NOY 0.9416
123 D3M 0.9414
124 CFP 0.9413
125 BP1 0.9411
126 1LM 0.9409
127 IFL 0.9407
128 0RW 0.9406
129 O72 0.9403
130 F3B 0.9402
131 JBH 0.9401
132 ADZ 0.9399
133 9TZ 0.9399
134 ES4 0.9399
135 PYG 0.9399
136 PFB 0.9397
137 60P 0.9393
138 XXR 0.9392
139 5M0 0.9389
140 5IQ 0.9387
141 AHR 0.9384
142 0TR 0.9383
143 6CS 0.9378
144 1PT 0.9376
145 NK 0.9373
146 290 0.9372
147 6AP 0.9372
148 3DO 0.9368
149 AZF 0.9368
150 GYE 0.9366
151 HH8 0.9365
152 AZG 0.9364
153 BEZ 0.9363
154 1LN 0.9360
155 5WX 0.9357
156 R8A 0.9356
157 BEN 0.9356
158 MBD 0.9355
159 SHA 0.9354
160 FYU 0.9352
161 PM6 0.9351
162 DEN 0.9350
163 KJY 0.9349
164 4XH 0.9349
165 KBG 0.9347
166 Q6T 0.9347
167 7B4 0.9345
168 6KX 0.9343
169 AKH 0.9342
170 TTY 0.9341
171 948 0.9341
172 7NI 0.9341
173 GBD 0.9339
174 GOO 0.9338
175 YH7 0.9338
176 BAM 0.9338
177 JZ1 0.9337
178 HIO 0.9336
179 3IT 0.9335
180 HMU 0.9334
181 7VJ 0.9334
182 6PC 0.9334
183 7HQ 0.9332
184 I3A 0.9332
185 KP6 0.9331
186 DX4 0.9331
187 MNM 0.9329
188 YCP 0.9328
189 NEQ 0.9327
190 8EZ 0.9326
191 GTQ 0.9326
192 GMN 0.9325
193 NIO 0.9325
194 1XM 0.9323
195 FBV 0.9321
196 NCA 0.9321
197 54G 0.9320
198 PXL 0.9320
199 IND 0.9319
200 3FA 0.9319
201 FCA 0.9318
202 286 0.9318
203 HJP 0.9318
204 0MK 0.9318
205 AZ8 0.9317
206 4AA 0.9316
207 BDP 0.9316
208 ARB 0.9316
209 JZ4 0.9315
210 2C9 0.9315
211 NDM 0.9315
212 IPZ 0.9314
213 MZB 0.9311
214 HH5 0.9311
215 94B 0.9310
216 BSX 0.9310
217 PE0 0.9309
218 5MK 0.9309
219 SRT 0.9309
220 0R1 0.9308
221 NQ 0.9308
222 MEW 0.9305
223 OXQ 0.9304
224 BZI 0.9303
225 FB1 0.9303
226 3CE 0.9303
227 6GU 0.9301
228 12Q 0.9301
229 0CT 0.9300
230 PRY 0.9300
231 BZF 0.9298
232 1XN 0.9297
233 FFP 0.9297
234 SWA 0.9296
235 0P6 0.9296
236 IDM 0.9295
237 LZ1 0.9295
238 GVH 0.9294
239 SHG 0.9294
240 3MC 0.9293
241 64K 0.9293
242 RM1 0.9293
243 CFF 0.9293
244 TH7 0.9292
245 FLM 0.9292
246 SX1 0.9290
247 3MA 0.9290
248 FOT 0.9290
249 MT0 0.9287
250 RSF 0.9287
251 KJH 0.9285
252 MPI 0.9285
253 5WV 0.9284
254 BZX 0.9284
255 261 0.9283
256 SWD 0.9283
257 3MH 0.9283
258 7CZ 0.9283
259 HZQ 0.9282
260 BOA 0.9282
261 FP1 0.9279
262 Q24 0.9279
263 37T 0.9279
264 5AC 0.9278
265 IPB 0.9277
266 SYG 0.9277
267 JZ9 0.9276
268 P3K 0.9276
269 GAL 0.9276
270 9KT 0.9276
271 2D0 0.9275
272 495 0.9274
273 HQT 0.9274
274 JIF 0.9273
275 5QX 0.9273
276 ISN 0.9273
277 GCB 0.9272
278 82I 0.9271
279 GAG 0.9271
280 NBZ 0.9271
281 MAN 0.9270
282 AFR 0.9268
283 CTS 0.9267
284 GOG 0.9266
285 BHO 0.9266
286 IJZ 0.9265
287 I1N 0.9264
288 FUL 0.9262
289 6AI 0.9261
290 HLZ 0.9261
291 TTL 0.9260
292 0CU 0.9257
293 7W1 0.9255
294 RXA 0.9255
295 HMH 0.9254
296 F81 0.9254
297 COU 0.9252
298 1WG 0.9251
299 DMJ 0.9250
300 3FH 0.9250
301 GLA 0.9250
302 42C 0.9249
303 24B 0.9249
304 TBS 0.9248
305 270 0.9247
306 2MN 0.9246
307 DBJ 0.9245
308 UNC 0.9245
309 EA1 0.9243
310 4HC 0.9243
311 2CM 0.9243
312 12B 0.9243
313 KKN 0.9242
314 AQO 0.9240
315 XQ0 0.9239
316 2CL 0.9239
317 M5K 0.9238
318 NPO 0.9238
319 EDG 0.9236
320 03V 0.9236
321 2MY 0.9235
322 X05 0.9233
323 T9G 0.9233
324 3MG 0.9231
325 ASC 0.9230
326 CWM 0.9229
327 7W4 0.9229
328 ES0 0.9229
329 ARA 0.9227
330 ZVO 0.9226
331 2H5 0.9226
332 14O 0.9226
333 YSO 0.9226
334 DMD 0.9226
335 PXM 0.9225
336 A7W 0.9224
337 NTZ 0.9223
338 ES7 0.9223
339 E7Z 0.9223
340 4JP 0.9223
341 UNU 0.9221
342 GIM 0.9220
343 M6N 0.9220
344 F1A 0.9219
345 AJ2 0.9218
346 FUF 0.9217
347 SOE 0.9217
348 NTN 0.9216
349 C2U 0.9215
350 NTM 0.9215
351 1AB 0.9214
352 EVA 0.9213
353 5RN 0.9212
354 0R0 0.9210
355 PZA 0.9210
356 B60 0.9209
357 5H1 0.9209
358 K17 0.9209
359 NDH 0.9205
360 6MH 0.9205
361 SS1 0.9204
362 DUB 0.9203
363 R2B 0.9200
364 DHK 0.9199
365 VGL 0.9199
366 3ID 0.9199
367 HY3 0.9198
368 J9W 0.9197
369 2FY 0.9193
370 VK3 0.9192
371 2LP 0.9190
372 QSC 0.9188
373 8CM 0.9187
374 RAM 0.9187
375 329 0.9186
376 AX7 0.9186
377 5WY 0.9185
378 RM4 0.9183
379 8GC 0.9183
380 ALL 0.9181
381 KLW 0.9181
382 MFB 0.9177
383 BE7 0.9176
384 3DM 0.9175
385 F60 0.9174
386 AC0 0.9174
387 AZ9 0.9174
388 2K4 0.9173
389 LSA 0.9173
390 M1Q 0.9172
391 CTL 0.9171
392 7VS 0.9171
393 9MG 0.9171
394 Q88 0.9170
395 UEG 0.9169
396 HTP 0.9168
397 TM4 0.9168
398 RHU 0.9168
399 K5W 0.9167
400 CWS 0.9165
401 BCP 0.9164
402 NMJ 0.9163
403 5MB 0.9163
404 ZZT 0.9162
405 150 0.9161
406 4FS 0.9159
407 JZ7 0.9157
408 SS2 0.9157
409 PHB 0.9156
410 RIB 0.9155
411 FUC 0.9154
412 2CQ 0.9154
413 3OC 0.9152
414 3PF 0.9152
415 JFD 0.9151
416 URF 0.9149
417 PBC 0.9149
418 FPK 0.9148
419 FCB 0.9147
420 NSP 0.9147
421 2AQ 0.9147
422 HQD 0.9147
423 JAE 0.9144
424 WOO 0.9143
425 SKA 0.9141
426 M0W 0.9140
427 H42 0.9140
428 LYL 0.9138
429 KUF 0.9138
430 5MI 0.9136
431 LZM 0.9135
432 4NC 0.9134
433 7N0 0.9134
434 BTY 0.9133
435 2EC 0.9131
436 ES5 0.9131
437 2MI 0.9131
438 XM0 0.9131
439 12M 0.9130
440 7MH 0.9129
441 GLF 0.9128
442 8H8 0.9127
443 BDF 0.9127
444 RIP 0.9127
445 RNS 0.9126
446 BMA 0.9126
447 URC 0.9126
448 ABV 0.9125
449 MAQ 0.9124
450 TLA 0.9124
451 P92 0.9122
452 WBU 0.9122
453 42A 0.9122
454 MVL 0.9120
455 PQ0 0.9120
456 TDR 0.9118
457 DIU 0.9118
458 PHT 0.9118
459 FH2 0.9117
460 LI6 0.9116
461 5CL 0.9116
462 3NT 0.9115
463 JB5 0.9114
464 PA1 0.9114
465 PRF 0.9114
466 1MC 0.9112
467 BEA 0.9109
468 AEZ 0.9108
469 4JT 0.9108
470 5HN 0.9108
471 ES9 0.9106
472 1Y6 0.9105
473 OCH 0.9105
474 GAB 0.9105
475 R8V 0.9104
476 MCT 0.9104
477 XX2 0.9102
478 RB5 0.9101
479 FDK 0.9100
480 8TX 0.9100
481 4Z4 0.9099
482 4CS 0.9097
483 FPY 0.9096
484 5QY 0.9096
485 DRL 0.9093
486 M1H 0.9093
487 HBD 0.9090
488 KPL 0.9088
489 2ZQ 0.9088
490 DFU 0.9088
491 MRW 0.9088
492 45C 0.9088
493 3AB 0.9086
494 11S 0.9085
495 3XX 0.9085
496 RSO 0.9084
497 3Z8 0.9083
498 1P7 0.9082
499 DIN 0.9082
500 HY1 0.9081
501 B55 0.9081
502 MO8 0.9079
503 Z82 0.9079
504 VNL 0.9078
505 DHB 0.9076
506 0N7 0.9075
507 PAF 0.9074
508 M1E 0.9074
509 T6C 0.9074
510 G3E 0.9074
511 B0D 0.9074
512 FK1 0.9073
513 MFU 0.9072
514 H4N 0.9071
515 INE 0.9071
516 DIE 0.9070
517 AC6 0.9070
518 MRY 0.9069
519 3HB 0.9068
520 75K 0.9067
521 PAB 0.9066
522 5OB 0.9065
523 KT7 0.9064
524 KIB 0.9063
525 KIA 0.9063
526 2XX 0.9062
527 275 0.9062
528 M58 0.9062
529 53C 0.9061
530 7ZE 0.9060
531 GCW 0.9060
532 GIV 0.9060
533 GAF 0.9058
534 M2K 0.9058
535 PZI 0.9058
536 TAR 0.9056
537 EYK 0.9056
538 ABE 0.9055
539 ICP 0.9055
540 PYD 0.9055
541 ARW 0.9055
542 MRZ 0.9054
543 BNS 0.9054
544 MS9 0.9053
545 8IG 0.9053
546 INO 0.9053
547 DPZ 0.9052
548 QX2 0.9052
549 EJZ 0.9052
550 PHH 0.9052
551 A1U 0.9051
552 MWM 0.9051
553 35C 0.9050
554 SVD 0.9049
555 TH0 0.9049
556 R9S 0.9049
557 IT2 0.9048
558 1DW 0.9047
559 YTB 0.9045
560 ICO 0.9045
561 5UC 0.9044
562 LT2 0.9044
563 B62 0.9043
564 OVV 0.9043
565 2AC 0.9041
566 4XR 0.9041
567 4HO 0.9040
568 4ZE 0.9038
569 ISZ 0.9035
570 QWW 0.9034
571 NNO 0.9034
572 ROR 0.9033
573 GCV 0.9033
574 2MP 0.9032
575 2FG 0.9031
576 5B1 0.9031
577 H33 0.9029
578 P72 0.9029
579 F4Z 0.9029
580 51F 0.9028
581 MYJ 0.9027
582 ADA 0.9025
583 3Z7 0.9025
584 SE2 0.9025
585 TZE 0.9024
586 SEJ 0.9024
587 D48 0.9023
588 5RO 0.9022
589 X09 0.9021
590 282 0.9021
591 DBX 0.9020
592 826 0.9019
593 XYD 0.9019
594 QOS 0.9018
595 3BZ 0.9018
596 HNQ 0.9017
597 HBA 0.9016
598 34A 0.9015
599 KFH 0.9014
600 1U6 0.9013
601 KOJ 0.9012
602 P9P 0.9012
603 94N 0.9012
604 149 0.9011
605 5DI 0.9011
606 ZWZ 0.9009
607 2HO 0.9009
608 XBZ 0.9008
609 PBZ 0.9007
610 FUB 0.9007
611 FRU 0.9007
612 IV2 0.9005
613 4MA 0.9004
614 FHB 0.9003
615 1GN 0.9003
616 8NY 0.9002
617 H62 0.9002
618 AMC 0.9001
619 NID 0.8999
620 FEH 0.8998
621 WCE 0.8998
622 SW7 0.8997
623 GTR 0.8997
624 209 0.8995
625 XAZ 0.8993
626 ODO 0.8993
627 TC7 0.8993
628 4A3 0.8991
629 QWN 0.8988
630 CFI 0.8987
631 APZ 0.8984
632 9TY 0.8983
633 G4D 0.8981
634 DGJ 0.8980
635 SYV 0.8980
636 XQG 0.8980
637 44V 0.8977
638 LRH 0.8977
639 3HM 0.8977
640 KBB 0.8977
641 2DR 0.8976
642 GXL 0.8974
643 4P0 0.8973
644 0W8 0.8971
645 JLZ 0.8970
646 4ME 0.8969
647 4CL 0.8968
648 2TQ 0.8968
649 7D2 0.8967
650 93K 0.8967
651 5JQ 0.8967
652 TMZ 0.8965
653 O7U 0.8965
654 I1E 0.8964
655 X6X 0.8962
656 M0Q 0.8962
657 MSN 0.8962
658 QBK 0.8962
659 4XX 0.8961
660 3ZQ 0.8960
661 GDE 0.8957
662 ORO 0.8957
663 GLT 0.8954
664 F0J 0.8954
665 43M 0.8954
666 174 0.8954
667 SYN 0.8953
668 DOR 0.8952
669 OA3 0.8950
670 7B3 0.8950
671 4JJ 0.8950
672 DEE 0.8950
673 J5I 0.8948
674 CRN 0.8948
675 PBE 0.8947
676 TOF 0.8947
677 BNT 0.8947
678 XHP 0.8946
679 JZ2 0.8945
680 BEW 0.8944
681 ILE 0.8944
682 LKA 0.8943
683 2YU 0.8943
684 CLZ 0.8942
685 5JL 0.8940
686 TMT 0.8940
687 HBX 0.8940
688 ET2 0.8937
689 ABN 0.8937
690 APY 0.8936
691 5MH 0.8935
692 1XX 0.8934
693 1P3 0.8933
694 2CH 0.8933
695 9PY 0.8933
696 NIZ 0.8933
697 86J 0.8932
698 9TW 0.8931
699 GT0 0.8930
700 MXN 0.8930
701 ZXD 0.8928
702 PMB 0.8926
703 QPR 0.8924
704 44W 0.8923
705 LMR 0.8922
706 06B 0.8920
707 OXC 0.8920
708 OAA 0.8920
709 BRT 0.8918
710 HTS 0.8915
711 AJV 0.8915
712 PBR 0.8913
713 4HM 0.8911
714 2HQ 0.8911
715 YIO 0.8910
716 QSB 0.8910
717 TAG 0.8909
718 Z5P 0.8906
719 4ZC 0.8905
720 6ME 0.8905
721 AGK 0.8904
722 N8P 0.8904
723 GOX 0.8904
724 HT4 0.8904
725 4PW 0.8904
726 BZ3 0.8903
727 N7P 0.8902
728 1AN 0.8901
729 27Y 0.8901
730 0FO 0.8899
731 UQ 0.8898
732 95Z 0.8898
733 938 0.8897
734 4JO 0.8897
735 5JC 0.8897
736 5GU 0.8896
737 BR8 0.8895
738 NBE 0.8894
739 PYF 0.8892
740 92Z 0.8892
741 FBM 0.8891
742 MMA 0.8891
743 PLQ 0.8891
744 D07 0.8890
745 TM7 0.8890
746 QXW 0.8889
747 IDH 0.8889
748 CAQ 0.8888
749 5XC 0.8888
750 CGB 0.8887
751 IF7 0.8887
752 ALO 0.8886
753 93Q 0.8886
754 CLW 0.8884
755 0LH 0.8883
756 MZG 0.8883
757 FPI 0.8883
758 MNN 0.8882
759 CHB 0.8882
760 IUR 0.8881
761 FBA 0.8880
762 1DJ 0.8878
763 D1X 0.8878
764 GTZ 0.8877
765 QAS 0.8877
766 SOR 0.8877
767 ECE 0.8876
768 23J 0.8876
769 L89 0.8876
770 GIF 0.8875
771 36R 0.8874
772 FPN 0.8874
773 OHP 0.8874
774 EKZ 0.8873
775 40O 0.8872
776 BR9 0.8872
777 FP2 0.8872
778 K6X 0.8871
779 KJU 0.8865
780 RUU 0.8862
781 HQE 0.8862
782 FBB 0.8860
783 JZ0 0.8860
784 8LG 0.8860
785 PY7 0.8858
786 HDH 0.8858
787 2KA 0.8855
788 5VM 0.8854
789 VGD 0.8854
790 FAN 0.8853
791 SKM 0.8853
792 TBP 0.8853
793 OTW 0.8853
794 13X 0.8853
795 DQU 0.8851
796 TFU 0.8850
797 QX4 0.8850
798 ENL 0.8850
799 0JD 0.8849
800 KIV 0.8849
801 V55 0.8848
802 YQA 0.8847
803 280 0.8846
804 40E 0.8846
805 HA7 0.8845
806 MWJ 0.8845
807 MAK 0.8845
808 IFP 0.8844
809 XUL 0.8844
810 MUA 0.8843
811 K2T 0.8842
812 L7T 0.8842
813 FA1 0.8842
814 4P5 0.8842
815 SYA 0.8840
816 J1Z 0.8840
817 MR1 0.8838
818 MWP 0.8835
819 GM7 0.8835
820 FCR 0.8834
821 F9P 0.8834
822 SRO 0.8834
823 J9Q 0.8833
824 PYJ 0.8833
825 6X8 0.8832
826 DA1 0.8832
827 GJS 0.8831
828 1MR 0.8830
829 6LW 0.8830
830 51R 0.8830
831 173 0.8829
832 ICC 0.8828
833 4JQ 0.8828
834 1P8 0.8827
835 ES2 0.8826
836 BCU 0.8826
837 2PC 0.8826
838 6UA 0.8824
839 B24 0.8821
840 WOT 0.8820
841 2A7 0.8820
842 QAT 0.8819
843 PX7 0.8819
844 284 0.8819
845 AUD 0.8819
846 PCA 0.8817
847 PRZ 0.8816
848 PCR 0.8816
849 L99 0.8816
850 SMV 0.8816
851 ITN 0.8816
852 K8X 0.8815
853 AX2 0.8815
854 6VD 0.8811
855 265 0.8810
856 MQN 0.8810
857 MBG 0.8810
858 4MU 0.8809
859 FOA 0.8809
860 2AF 0.8809
861 JXN 0.8808
862 H6B 0.8807
863 AW5 0.8807
864 LG4 0.8807
865 GZL 0.8807
866 MVN 0.8807
867 FSW 0.8806
868 GZ8 0.8806
869 ASN 0.8805
870 UAN 0.8805
871 97T 0.8805
872 3AY 0.8805
873 TP5 0.8805
874 FB2 0.8804
875 URA 0.8804
876 KGK 0.8803
877 2MH 0.8803
878 OXE 0.8803
879 BSP 0.8802
880 C21 0.8802
881 K32 0.8802
882 4JU 0.8801
883 F12 0.8800
884 IHB 0.8800
885 0FN 0.8798
886 34D 0.8798
887 271 0.8797
888 GXY 0.8794
889 RCO 0.8794
890 47J 0.8793
891 ZZ8 0.8790
892 4VP 0.8790
893 SFU 0.8789
894 2LY 0.8789
895 ZB1 0.8788
896 9CL 0.8788
897 O2A 0.8788
898 3NY 0.8788
899 717 0.8788
900 AMG 0.8786
901 A65 0.8785
902 SF9 0.8784
903 PYC 0.8784
904 LDU 0.8783
905 PXY 0.8780
906 UY7 0.8779
907 2A9 0.8779
908 4YO 0.8779
909 PRO 0.8778
910 TLD 0.8776
911 CYT 0.8776
912 32O 0.8774
913 SAN 0.8771
914 H76 0.8770
915 N8Y 0.8770
916 25R 0.8770
917 SR1 0.8768
918 2AL 0.8766
919 FHN 0.8765
920 QIC 0.8765
921 AIN 0.8764
922 3CH 0.8764
923 VAL 0.8763
924 0TU 0.8763
925 RMN 0.8762
926 XXP 0.8762
927 HX3 0.8761
928 3R6 0.8761
929 JBN 0.8761
930 76X 0.8760
931 THR 0.8760
932 S76 0.8758
933 R8S 0.8758
934 GYP 0.8757
935 278 0.8754
936 CRS 0.8754
937 FLV 0.8754
938 34V 0.8753
939 WDL 0.8751
940 6HQ 0.8751
941 26D 0.8751
942 JU2 0.8750
943 MLT 0.8749
944 TSU 0.8748
945 LG3 0.8748
946 8ZE 0.8746
947 J9T 0.8746
948 18N 0.8746
949 H8N 0.8746
950 C2A 0.8746
951 AAS 0.8745
952 QY9 0.8744
953 YHO 0.8743
954 EHM 0.8743
955 8XQ 0.8743
956 5ZE 0.8743
957 XCZ 0.8742
958 M3S 0.8742
959 TIU 0.8741
960 7ME 0.8740
961 AKB 0.8739
962 273 0.8739
963 JA8 0.8738
964 LNR 0.8737
965 FQI 0.8737
966 CXF 0.8736
967 6RQ 0.8735
968 0HO 0.8735
969 4JL 0.8734
970 JTH 0.8734
971 4M4 0.8731
972 EUG 0.8731
973 2ZM 0.8730
974 FLA 0.8730
975 FA3 0.8729
976 K22 0.8727
977 8WO 0.8726
978 QSH 0.8723
979 URP 0.8723
980 2AK 0.8722
981 4TU 0.8720
982 4CH 0.8720
983 FGZ 0.8719
984 GZQ 0.8719
985 8WT 0.8717
986 6NT 0.8717
987 92P 0.8715
988 PEA 0.8713
989 LDP 0.8713
990 BVF 0.8712
991 Y8I 0.8710
992 A13 0.8710
993 LG5 0.8710
994 FBW 0.8709
995 TPA 0.8707
996 FDR 0.8706
997 X0V 0.8704
998 2FQ 0.8704
999 14J 0.8704
1000 PEL 0.8703
1001 TZC 0.8703
1002 C2B 0.8701
1003 PHU 0.8700
1004 PAC 0.8699
1005 REL 0.8697
1006 XBT 0.8695
1007 3GQ 0.8694
1008 4JM 0.8692
1009 52C 0.8691
1010 C2Y 0.8690
1011 23W 0.8690
1012 TEO 0.8689
1013 3SL 0.8688
1014 GTL 0.8687
1015 GV9 0.8687
1016 2ZX 0.8685
1017 DAS 0.8684
1018 9FL 0.8684
1019 URQ 0.8683
1020 OK7 0.8682
1021 TGX 0.8680
1022 OVM 0.8680
1023 1F1 0.8680
1024 15E 0.8680
1025 PAV 0.8678
1026 TSS 0.8677
1027 PEZ 0.8676
1028 DYA 0.8676
1029 3MB 0.8675
1030 DUC 0.8675
1031 9RW 0.8674
1032 DHS 0.8673
1033 ABI 0.8673
1034 ERH 0.8670
1035 5AN 0.8669
1036 NK2 0.8668
1037 7MU 0.8667
1038 M2H 0.8665
1039 ZZ3 0.8665
1040 1M2 0.8664
1041 HIS 0.8663
1042 069 0.8658
1043 4HS 0.8658
1044 5NI 0.8658
1045 ASP 0.8657
1046 8GF 0.8657
1047 T2C 0.8655
1048 XIY 0.8655
1049 6JN 0.8654
1050 CEE 0.8653
1051 0HN 0.8653
1052 BML 0.8650
1053 F9Y 0.8649
1054 SXS 0.8648
1055 226 0.8645
1056 4FH 0.8644
1057 HPY 0.8644
1058 4FA 0.8640
1059 GRO 0.8637
1060 DQA 0.8637
1061 NK1 0.8635
1062 2GS 0.8634
1063 8OZ 0.8631
1064 4JN 0.8631
1065 5NE 0.8629
1066 4NM 0.8625
1067 TVP 0.8624
1068 1DU 0.8622
1069 6NI 0.8617
1070 4SX 0.8616
1071 GLU 0.8614
1072 CIZ 0.8614
1073 E5X 0.8614
1074 PBA 0.8610
1075 JAB 0.8609
1076 HGQ 0.8609
1077 3A9 0.8608
1078 F31 0.8607
1079 YAN 0.8607
1080 CYH 0.8604
1081 PFL 0.8603
1082 NVU 0.8599
1083 TFB 0.8598
1084 1DV 0.8598
1085 JZ5 0.8595
1086 JKZ 0.8595
1087 ANN 0.8595
1088 4J8 0.8595
1089 2BG 0.8594
1090 OW4 0.8593
1091 PEP 0.8592
1092 OMD 0.8591
1093 2PG 0.8587
1094 N2I 0.8586
1095 R9Y 0.8586
1096 FBG 0.8585
1097 CXL 0.8585
1098 FBS 0.8581
1099 CIG 0.8580
1100 Q7A 0.8579
1101 2HU 0.8577
1102 HAI 0.8571
1103 PH2 0.8570
1104 GJZ 0.8568
1105 HHR 0.8568
1106 PEY 0.8565
1107 4H2 0.8562
1108 4WL 0.8540
1109 259 0.8537
1110 GCO 0.8536
1111 UFO 0.8535
1112 ZYR 0.8533
1113 HKD 0.8531
1114 OVP 0.8528
1115 PQK 0.8527
1116 PDC 0.8526
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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