Receptor
PDB id Resolution Class Description Source Keywords
5R8B 1.49 Å NON-ENZYME: OTHER PANDDA ANALYSIS GROUP DEPOSITION INTERLEUKIN-1 BETA -- FRAGM Z2027049478 IN COMPLEX WITH INTERLEUKIN-1 BETA HOMO SAPIENS IL-1 BETA SIGNALING PROTEIN SGC - DIAMOND I04-1 FRAGMENT SPANDDA XCHEMEXPLORER
Ref.: MINING THE PDB FOR TRACTABLE CASES WHERE X-RAY CRYSTALLOGRAPHY COMBINED WITH FRAGMENT SCREENS CAN TO SYSTEMATICALLY DESIGN PROTEIN-PROTEIN INHIBITORS TEST CASES ILLUSTRATED BY IL1 BETA-IL1R AND P38 ALP COMPLEXES. J.MED.CHEM. V. 63
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:201;
A:202;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
K34 A:204;
A:203;
 Valid;
Valid;
 none;
none;
 submit data
152.177 C5 H4 N4 S c1csc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5R8Q 1.23 Å NON-ENZYME: OTHER PANDDA ANALYSIS GROUP DEPOSITION INTERLEUKIN-1 BETA -- FRAGM Z2643472210 IN COMPLEX WITH INTERLEUKIN-1 BETA HOMO SAPIENS IL-1 BETA SIGNALING PROTEIN SGC - DIAMOND I04-1 FRAGMENT SPANDDA XCHEMEXPLORER
Ref.: MINING THE PDB FOR TRACTABLE CASES WHERE X-RAY CRYSTALLOGRAPHY COMBINED WITH FRAGMENT SCREENS CAN TO SYSTEMATICALLY DESIGN PROTEIN-PROTEIN INHIBITORS TEST CASES ILLUSTRATED BY IL1 BETA-IL1R AND P38 ALP COMPLEXES. J.MED.CHEM. V. 63
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5R8J - S8D C10 H20 N2 O2 CCNC(=O)CN....
2 5R85 - S7A C7 H11 F3 N2 O C1CN(CCN1)....
3 5R8Q - JGY C10 H15 N3 O2 Cn1ccc(n1)....
4 5R8C - M25 C10 H14 N2 O3 S CC(=O)NCCc....
5 5R8N - S8J C11 H13 N5 O2 CCOc1cccc(....
6 5R8D - S7J C6 H4 F3 N3 O c1c(cnc(n1....
7 5R8O - S8P C10 H14 N2 O2 S Cc1cc(ns1)....
8 5R8A - S7G C11 H14 N2 O CC(=O)N[C@....
9 5R8B - K34 C5 H4 N4 S c1csc(n1)c....
10 5R8I - A7N C10 H15 N O CCOc1ccc(c....
11 5R8H - T91 C14 H19 N3 O CC(C)(C)C(....
12 5R8M - S8G C9 H15 F3 N2 O C1C[C@H](C....
13 5R89 - S7D C10 H15 N3 O2 C[C@H]1CN(....
14 5R8E - S7S C7 H13 N5 O CCCC(=O)Nc....
15 5R8G - S7V C12 H17 N O2 c1ccc(cc1)....
16 5R8K - S8D C10 H20 N2 O2 CCNC(=O)CN....
17 5R8F - K3Y C10 H16 N4 O Cn1cc(c(n1....
18 5R8L - NY4 C12 H16 N2 O C[C@@H](c1....
19 5R88 - LWA C12 H14 N2 O3 c1cc(ccc1C....
20 5R86 - GT4 C9 H11 N O3 COCC(=O)Nc....
21 5R8P - S8V C8 H15 N O C1COC[C@@H....
22 5R87 - K0G C12 H11 N3 O c1ccc(cc1)....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5R8J - S8D C10 H20 N2 O2 CCNC(=O)CN....
2 5R85 - S7A C7 H11 F3 N2 O C1CN(CCN1)....
3 5R8Q - JGY C10 H15 N3 O2 Cn1ccc(n1)....
4 5R8C - M25 C10 H14 N2 O3 S CC(=O)NCCc....
5 5R8N - S8J C11 H13 N5 O2 CCOc1cccc(....
6 5R8D - S7J C6 H4 F3 N3 O c1c(cnc(n1....
7 5R8O - S8P C10 H14 N2 O2 S Cc1cc(ns1)....
8 5R8A - S7G C11 H14 N2 O CC(=O)N[C@....
9 5R8B - K34 C5 H4 N4 S c1csc(n1)c....
10 5R8I - A7N C10 H15 N O CCOc1ccc(c....
11 5R8H - T91 C14 H19 N3 O CC(C)(C)C(....
12 5R8M - S8G C9 H15 F3 N2 O C1C[C@H](C....
13 5R89 - S7D C10 H15 N3 O2 C[C@H]1CN(....
14 5R8E - S7S C7 H13 N5 O CCCC(=O)Nc....
15 5R8G - S7V C12 H17 N O2 c1ccc(cc1)....
16 5R8K - S8D C10 H20 N2 O2 CCNC(=O)CN....
17 5R8F - K3Y C10 H16 N4 O Cn1cc(c(n1....
18 5R8L - NY4 C12 H16 N2 O C[C@@H](c1....
19 5R88 - LWA C12 H14 N2 O3 c1cc(ccc1C....
20 5R86 - GT4 C9 H11 N O3 COCC(=O)Nc....
21 5R8P - S8V C8 H15 N O C1COC[C@@H....
22 5R87 - K0G C12 H11 N3 O c1ccc(cc1)....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5R8J - S8D C10 H20 N2 O2 CCNC(=O)CN....
2 5R85 - S7A C7 H11 F3 N2 O C1CN(CCN1)....
3 5R8Q - JGY C10 H15 N3 O2 Cn1ccc(n1)....
4 5R8C - M25 C10 H14 N2 O3 S CC(=O)NCCc....
5 5R8N - S8J C11 H13 N5 O2 CCOc1cccc(....
6 5R8D - S7J C6 H4 F3 N3 O c1c(cnc(n1....
7 5R8O - S8P C10 H14 N2 O2 S Cc1cc(ns1)....
8 5R8A - S7G C11 H14 N2 O CC(=O)N[C@....
9 5R8B - K34 C5 H4 N4 S c1csc(n1)c....
10 5R8I - A7N C10 H15 N O CCOc1ccc(c....
11 5R8H - T91 C14 H19 N3 O CC(C)(C)C(....
12 5R8M - S8G C9 H15 F3 N2 O C1C[C@H](C....
13 5R89 - S7D C10 H15 N3 O2 C[C@H]1CN(....
14 5R8E - S7S C7 H13 N5 O CCCC(=O)Nc....
15 5R8G - S7V C12 H17 N O2 c1ccc(cc1)....
16 5R8K - S8D C10 H20 N2 O2 CCNC(=O)CN....
17 5R8F - K3Y C10 H16 N4 O Cn1cc(c(n1....
18 5R8L - NY4 C12 H16 N2 O C[C@@H](c1....
19 5R88 - LWA C12 H14 N2 O3 c1cc(ccc1C....
20 5R86 - GT4 C9 H11 N O3 COCC(=O)Nc....
21 5R8P - S8V C8 H15 N O C1COC[C@@H....
22 5R87 - K0G C12 H11 N3 O c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K34; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 K34 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: K34; Similar ligands found: 932
No: Ligand Similarity coefficient
1 PIM 0.9900
2 M3H 0.9868
3 PIY 0.9786
4 CFI 0.9697
5 ISZ 0.9663
6 173 0.9656
7 NIZ 0.9646
8 J9N 0.9612
9 PHB 0.9611
10 0BP 0.9607
11 M45 0.9599
12 BHO 0.9588
13 GVG 0.9584
14 NCT 0.9581
15 F9P 0.9571
16 NPO 0.9570
17 PHU 0.9569
18 TPA 0.9557
19 4PN 0.9549
20 DE5 0.9549
21 HIS 0.9547
22 OAA 0.9544
23 PAB 0.9543
24 3PF 0.9528
25 HBD 0.9526
26 BNL 0.9511
27 PAC 0.9505
28 FBM 0.9505
29 1Y6 0.9503
30 4P5 0.9500
31 XM0 0.9496
32 GUA 0.9496
33 MSR 0.9492
34 OK7 0.9490
35 HX4 0.9489
36 5QY 0.9486
37 HQJ 0.9484
38 MLT 0.9477
39 C1M 0.9475
40 BEN 0.9472
41 BEZ 0.9469
42 NCA 0.9466
43 L5V 0.9464
44 M4T 0.9457
45 HSO 0.9454
46 J9Q 0.9451
47 GJZ 0.9443
48 P72 0.9441
49 97T 0.9440
50 4ZA 0.9439
51 FUM 0.9439
52 IWT 0.9437
53 6TZ 0.9435
54 H42 0.9435
55 FEH 0.9433
56 52C 0.9433
57 BAM 0.9432
58 NIO 0.9429
59 CPZ 0.9429
60 36Y 0.9428
61 7VP 0.9427
62 AX7 0.9424
63 54D 0.9423
64 6PC 0.9419
65 4WL 0.9413
66 COU 0.9412
67 SIN 0.9407
68 4MA 0.9404
69 3QM 0.9402
70 HX2 0.9402
71 RUY 0.9401
72 PBC 0.9398
73 I1E 0.9397
74 TZF 0.9396
75 ABV 0.9395
76 AKG 0.9394
77 ZBT 0.9393
78 TZL 0.9393
79 D48 0.9392
80 826 0.9386
81 PBZ 0.9379
82 SRT 0.9378
83 NTN 0.9377
84 N2Z 0.9373
85 XRG 0.9373
86 MUC 0.9372
87 AC6 0.9372
88 SPA 0.9369
89 COI 0.9368
90 R20 0.9367
91 MPV 0.9366
92 XBT 0.9366
93 UNU 0.9366
94 OGA 0.9359
95 270 0.9358
96 AC0 0.9355
97 5WV 0.9354
98 HDH 0.9353
99 Z82 0.9351
100 JB5 0.9349
101 SW7 0.9348
102 DMD 0.9345
103 4FS 0.9345
104 03V 0.9338
105 YCP 0.9338
106 HHI 0.9337
107 G3E 0.9337
108 PZI 0.9335
109 ET2 0.9335
110 JAE 0.9334
111 2RH 0.9327
112 INO 0.9325
113 8OZ 0.9324
114 RMN 0.9323
115 OEG 0.9320
116 OCH 0.9320
117 6NT 0.9314
118 QUZ 0.9312
119 LMR 0.9311
120 A29 0.9308
121 NBZ 0.9307
122 DYA 0.9302
123 TIH 0.9301
124 3LR 0.9300
125 FAN 0.9299
126 JLZ 0.9296
127 GOJ 0.9295
128 2MI 0.9295
129 UGC 0.9294
130 6FZ 0.9293
131 EOU 0.9290
132 VGL 0.9283
133 GGL 0.9283
134 174 0.9280
135 2AQ 0.9279
136 4NC 0.9278
137 TYL 0.9278
138 2BG 0.9276
139 M6W 0.9276
140 RSO 0.9275
141 BNS 0.9275
142 F4E 0.9273
143 S2G 0.9272
144 PZA 0.9272
145 FBB 0.9271
146 CLW 0.9271
147 NNO 0.9266
148 P92 0.9265
149 DYT 0.9264
150 ES5 0.9264
151 KTJ 0.9260
152 DHB 0.9259
153 XIY 0.9258
154 NPY 0.9258
155 P9P 0.9258
156 2CK 0.9258
157 SE2 0.9258
158 4JT 0.9258
159 BZ2 0.9257
160 J5I 0.9254
161 BZ3 0.9253
162 14O 0.9252
163 9FL 0.9252
164 SNU 0.9251
165 K2T 0.9249
166 E5X 0.9248
167 0HN 0.9248
168 AL0 0.9247
169 5OB 0.9246
170 SS1 0.9245
171 HSM 0.9244
172 2HO 0.9243
173 MYJ 0.9243
174 2K4 0.9241
175 KKN 0.9241
176 S2P 0.9239
177 TIU 0.9237
178 PBA 0.9232
179 ES2 0.9232
180 717 0.9232
181 36R 0.9231
182 0HO 0.9231
183 4CS 0.9230
184 C21 0.9230
185 4A3 0.9230
186 XX2 0.9230
187 GLY GLY 0.9229
188 ISN 0.9228
189 AOT 0.9228
190 ASP 0.9227
191 HPS 0.9225
192 QY9 0.9224
193 BE7 0.9223
194 1P8 0.9223
195 3NY 0.9222
196 PO6 0.9220
197 VGD 0.9220
198 ESP 0.9219
199 5MB 0.9218
200 PJW 0.9217
201 7WG 0.9217
202 FBJ 0.9215
203 R9S 0.9214
204 ICB 0.9214
205 J9T 0.9214
206 6AI 0.9214
207 GLU 0.9214
208 3ID 0.9212
209 5MI 0.9210
210 TT4 0.9209
211 MNN 0.9207
212 FHB 0.9204
213 GAB 0.9203
214 069 0.9202
215 F60 0.9202
216 0OC 0.9201
217 SYC 0.9200
218 DHI 0.9199
219 1M2 0.9199
220 5NI 0.9198
221 5H1 0.9198
222 BZX 0.9197
223 2F6 0.9194
224 6NI 0.9194
225 QMP 0.9193
226 7N0 0.9192
227 PNZ 0.9192
228 ES7 0.9192
229 PEA 0.9190
230 1IT 0.9189
231 OTR 0.9188
232 HL5 0.9187
233 OVV 0.9187
234 PRO 0.9186
235 ABI 0.9186
236 MQN 0.9185
237 KTA 0.9185
238 A5E 0.9184
239 1PT 0.9184
240 4JQ 0.9183
241 11S 0.9183
242 93K 0.9182
243 B85 0.9181
244 PPY 0.9181
245 IHB 0.9181
246 QSC 0.9180
247 3HB 0.9180
248 3NT 0.9179
249 3HM 0.9177
250 TH7 0.9174
251 6M9 0.9174
252 5XB 0.9173
253 SYV 0.9172
254 SME 0.9171
255 2ZM 0.9169
256 CH9 0.9168
257 6RQ 0.9168
258 LEU 0.9168
259 GRO 0.9167
260 1Z6 0.9165
261 2HG 0.9165
262 QSB 0.9164
263 CHB 0.9162
264 PHE 0.9160
265 0TU 0.9158
266 JZ5 0.9158
267 3AB 0.9154
268 OKG 0.9152
269 4BZ 0.9152
270 TP5 0.9152
271 SAN 0.9151
272 JAW 0.9151
273 9TW 0.9150
274 JA8 0.9150
275 3OC 0.9150
276 ANN 0.9148
277 9CA 0.9147
278 4V2 0.9147
279 5XC 0.9144
280 AAS 0.9143
281 BEA 0.9143
282 URO 0.9143
283 PKU 0.9142
284 FB2 0.9141
285 MXN 0.9141
286 LT2 0.9141
287 268 0.9140
288 MAE 0.9140
289 TZC 0.9139
290 2HQ 0.9139
291 8GC 0.9138
292 2HU 0.9138
293 152 0.9138
294 MR1 0.9137
295 FOA 0.9137
296 NMJ 0.9137
297 1F1 0.9136
298 TCA 0.9135
299 SHA 0.9131
300 PCA 0.9129
301 CXF 0.9127
302 TSU 0.9127
303 ES9 0.9125
304 FBS 0.9122
305 FK1 0.9122
306 JBN 0.9121
307 4YO 0.9121
308 CTL 0.9119
309 XQ0 0.9115
310 5VM 0.9113
311 NDH 0.9112
312 S8V 0.9111
313 EA1 0.9110
314 49F 0.9108
315 0VT 0.9106
316 3SL 0.9106
317 ESX 0.9106
318 92K 0.9105
319 4J8 0.9103
320 RB5 0.9102
321 XYL 0.9102
322 M58 0.9101
323 JF6 0.9101
324 4LW 0.9100
325 3A9 0.9099
326 JYD 0.9097
327 8ZE 0.9096
328 PMB 0.9096
329 XDK 0.9096
330 RAT 0.9096
331 5HN 0.9094
332 QWN 0.9093
333 FQI 0.9091
334 SMN 0.9085
335 TGX 0.9085
336 PEP 0.9083
337 HBA 0.9083
338 DEN 0.9081
339 SD4 0.9080
340 HNL 0.9080
341 4MV 0.9079
342 2AL 0.9077
343 H4N 0.9076
344 HC4 0.9076
345 DOB 0.9075
346 IND 0.9074
347 L99 0.9072
348 RJY 0.9071
349 BZI 0.9069
350 IZC 0.9069
351 ASN 0.9069
352 5GU 0.9067
353 1SA 0.9067
354 TTL 0.9066
355 7MU 0.9066
356 67N 0.9065
357 5WZ 0.9064
358 JDN 0.9064
359 2PC 0.9063
360 GLN 0.9063
361 53C 0.9062
362 KJU 0.9061
363 1DW 0.9059
364 R8V 0.9059
365 4FA 0.9059
366 15E 0.9059
367 FK8 0.9058
368 9RW 0.9058
369 KJH 0.9054
370 BPN 0.9053
371 1L5 0.9053
372 12Q 0.9052
373 FCR 0.9052
374 N3W 0.9051
375 HCI 0.9051
376 URS 0.9048
377 PMF 0.9048
378 6M4 0.9048
379 WCE 0.9048
380 FA0 0.9045
381 K7M 0.9045
382 1DJ 0.9045
383 AMH 0.9043
384 DGL 0.9042
385 2IT 0.9042
386 TLA 0.9042
387 46P 0.9038
388 DS0 0.9037
389 JKE 0.9036
390 IT2 0.9035
391 URP 0.9034
392 F05 0.9033
393 I3A 0.9033
394 LZ1 0.9032
395 7W4 0.9032
396 0CT 0.9030
397 4NM 0.9028
398 86J 0.9028
399 A09 0.9027
400 BRT 0.9027
401 PGA 0.9026
402 5QX 0.9025
403 XLS 0.9024
404 ONR 0.9023
405 R2P 0.9023
406 8WO 0.9023
407 14J 0.9023
408 4FH 0.9022
409 QXW 0.9020
410 EHM 0.9019
411 DGN 0.9019
412 3BZ 0.9019
413 M1A 0.9019
414 SHF 0.9016
415 1A7 0.9015
416 APG 0.9015
417 KMH 0.9014
418 BHA 0.9013
419 IDM 0.9010
420 PYC 0.9010
421 PRA 0.9010
422 YRL 0.9010
423 45L 0.9009
424 F9Y 0.9009
425 JAB 0.9008
426 1P7 0.9008
427 HY1 0.9008
428 VKC 0.9007
429 TAR 0.9006
430 258 0.9005
431 DIN 0.9004
432 DHR 0.9002
433 1WC 0.9001
434 BE2 0.9001
435 L22 0.9000
436 JB8 0.8999
437 4JP 0.8998
438 GZ3 0.8997
439 XIZ 0.8997
440 4M0 0.8997
441 2FT 0.8997
442 B3U 0.8996
443 SS2 0.8995
444 273 0.8995
445 ALA ALA 0.8995
446 SN4 0.8995
447 13P 0.8995
448 CWJ 0.8993
449 PGH 0.8993
450 SAL 0.8993
451 PG3 0.8991
452 AEF 0.8991
453 SKA 0.8987
454 0F9 0.8987
455 8NY 0.8986
456 SMV 0.8984
457 HCS 0.8983
458 4NB 0.8983
459 265 0.8980
460 I4B 0.8980
461 PZM 0.8979
462 ICF 0.8978
463 4VP 0.8977
464 NLE 0.8976
465 0P6 0.8975
466 MEQ 0.8975
467 BNF 0.8974
468 SAF 0.8973
469 HQT 0.8971
470 FOC 0.8970
471 5CU 0.8967
472 HMH 0.8966
473 271 0.8965
474 BZF 0.8964
475 0JD 0.8963
476 AMS 0.8963
477 MAH 0.8963
478 SEP 0.8962
479 KUF 0.8962
480 JZ9 0.8961
481 Q88 0.8961
482 A7W 0.8960
483 ORN 0.8959
484 HNH 0.8959
485 GZL 0.8958
486 15N 0.8957
487 X0V 0.8953
488 DAS 0.8952
489 PEQ 0.8952
490 N2I 0.8952
491 94W 0.8952
492 7W1 0.8950
493 449 0.8949
494 A9P 0.8948
495 GLL 0.8948
496 36E 0.8948
497 X1S 0.8948
498 ASC 0.8946
499 PEL 0.8945
500 YZM 0.8944
501 MPI 0.8944
502 DBH 0.8944
503 HDA 0.8943
504 5B1 0.8943
505 24W 0.8942
506 LNR 0.8940
507 GDE 0.8940
508 3HA 0.8938
509 GLY ALA 0.8936
510 PXL 0.8936
511 23J 0.8935
512 CWM 0.8935
513 DQY 0.8935
514 G3P 0.8935
515 0V5 0.8935
516 HYP 0.8933
517 TEO 0.8933
518 HNK 0.8933
519 SVN 0.8931
520 0R1 0.8931
521 J6W 0.8929
522 9RH 0.8928
523 9EW 0.8928
524 3F0 0.8928
525 5NU 0.8927
526 CCE 0.8926
527 HHH 0.8925
528 2D0 0.8924
529 R67 0.8923
530 9ON 0.8921
531 HHA 0.8920
532 SKM 0.8919
533 E7Z 0.8919
534 GP9 0.8919
535 Z5P 0.8918
536 3M0 0.8918
537 7WV 0.8917
538 HLR 0.8914
539 MTL 0.8913
540 ES0 0.8912
541 ODO 0.8912
542 NF3 0.8912
543 1SQ 0.8911
544 ESI 0.8908
545 5LA 0.8906
546 JG8 0.8906
547 UY7 0.8905
548 CWS 0.8905
549 3AL 0.8904
550 1GP 0.8903
551 4SV 0.8902
552 259 0.8902
553 8CM 0.8902
554 FBW 0.8901
555 AN3 0.8900
556 0RW 0.8900
557 ES6 0.8899
558 DAV 0.8898
559 KOJ 0.8897
560 4SX 0.8895
561 1LQ 0.8894
562 5SG 0.8894
563 FA1 0.8893
564 GVH 0.8891
565 92G 0.8890
566 1XA 0.8890
567 AZ9 0.8890
568 2HC 0.8889
569 IV2 0.8888
570 PSE 0.8888
571 MRZ 0.8887
572 N5J 0.8886
573 RM1 0.8885
574 3HG 0.8884
575 1P3 0.8883
576 URC 0.8881
577 QSH 0.8881
578 EN1 0.8879
579 PRS 0.8874
580 5IQ 0.8874
581 DTL 0.8872
582 3PG 0.8871
583 5RN 0.8871
584 BGC 0.8870
585 B40 0.8868
586 3U4 0.8867
587 FUD 0.8866
588 EKZ 0.8866
589 HFA 0.8864
590 4JM 0.8864
591 H8N 0.8862
592 Q02 0.8860
593 LDP 0.8857
594 1DV 0.8856
595 JBE 0.8856
596 AHR 0.8854
597 3YP 0.8854
598 428 0.8853
599 9ZE 0.8851
600 M2K 0.8850
601 KT7 0.8849
602 VNL 0.8849
603 4LR 0.8848
604 IFP 0.8848
605 FHC 0.8848
606 DAL DAL 0.8847
607 O72 0.8847
608 GVY 0.8846
609 SHI 0.8845
610 LYS 0.8844
611 AMC 0.8844
612 G3H 0.8843
613 MS9 0.8842
614 AHB 0.8841
615 DHS 0.8841
616 J1Z 0.8841
617 Q03 0.8840
618 NFA 0.8840
619 JBH 0.8839
620 AJ2 0.8838
621 1DU 0.8835
622 LQ2 0.8834
623 4AA 0.8832
624 NM2 0.8831
625 GYE 0.8831
626 0NX 0.8830
627 F31 0.8830
628 M1Q 0.8829
629 1NP 0.8829
630 8H8 0.8829
631 SYM 0.8828
632 7Q1 0.8827
633 4XH 0.8827
634 CXP 0.8826
635 MRW 0.8826
636 FGZ 0.8824
637 5VL 0.8823
638 2AS 0.8822
639 FYU 0.8820
640 4XR 0.8819
641 MED 0.8819
642 FP1 0.8819
643 1WD 0.8817
644 60P 0.8816
645 4HP 0.8816
646 J9W 0.8816
647 PH3 0.8815
648 51R 0.8815
649 JPZ 0.8814
650 JRB 0.8813
651 4YS 0.8812
652 0N7 0.8812
653 AZ8 0.8812
654 MET 0.8812
655 4Z4 0.8809
656 XAZ 0.8807
657 4JL 0.8806
658 SYN 0.8806
659 E7S 0.8805
660 D3G 0.8804
661 3PP 0.8804
662 SLS 0.8804
663 GXY 0.8804
664 BZE 0.8803
665 XCZ 0.8803
666 4LV 0.8799
667 SWA 0.8799
668 795 0.8798
669 1DQ 0.8798
670 UNJ 0.8797
671 4HC 0.8796
672 HQY 0.8795
673 JBK 0.8795
674 DHK 0.8794
675 2QC 0.8793
676 GPJ 0.8793
677 M1Z 0.8793
678 5Q0 0.8793
679 BPY 0.8792
680 1LM 0.8792
681 40E 0.8792
682 RA7 0.8790
683 M5K 0.8790
684 6NA 0.8789
685 SDD 0.8789
686 3FH 0.8787
687 8WT 0.8785
688 GPF 0.8785
689 HH5 0.8785
690 GWM 0.8784
691 KDV 0.8784
692 FPI 0.8784
693 E1T 0.8782
694 SSN 0.8781
695 CCU 0.8781
696 HH8 0.8781
697 XUL 0.8780
698 6KT 0.8779
699 OVM 0.8778
700 GTQ 0.8777
701 5RG 0.8776
702 OW4 0.8775
703 CEE 0.8774
704 8K2 0.8774
705 HSE 0.8773
706 IPB 0.8772
707 ICO 0.8771
708 7HQ 0.8770
709 LT1 0.8770
710 HA5 0.8769
711 ASO 0.8768
712 0W8 0.8768
713 TFB 0.8768
714 KTW 0.8767
715 FBA 0.8766
716 4BY 0.8765
717 JFJ 0.8765
718 MZW 0.8764
719 9R5 0.8764
720 GUN 0.8764
721 6ME 0.8763
722 ABU 0.8763
723 PYF 0.8760
724 HG3 0.8760
725 SOR 0.8759
726 39O 0.8759
727 2CQ 0.8755
728 261 0.8754
729 3MB 0.8752
730 ES1 0.8751
731 CCD 0.8749
732 3ZB 0.8748
733 GLC 0.8747
734 2MH 0.8747
735 ZYR 0.8746
736 5RO 0.8745
737 ORO 0.8745
738 44V 0.8745
739 DPN 0.8744
740 0W1 0.8743
741 4VY 0.8742
742 MWP 0.8742
743 QBK 0.8741
744 Q24 0.8741
745 C2B 0.8741
746 HBX 0.8740
747 FB1 0.8739
748 LEA 0.8739
749 AJV 0.8738
750 M6N 0.8737
751 9FE 0.8735
752 9TZ 0.8734
753 M4S 0.8734
754 FBV 0.8732
755 OTW 0.8731
756 SPV 0.8730
757 GAG 0.8730
758 MUA 0.8730
759 9SE 0.8726
760 8XL 0.8725
761 7B4 0.8725
762 SNO 0.8725
763 X0U 0.8724
764 75K 0.8724
765 MEV 0.8723
766 5M0 0.8720
767 ALE 0.8720
768 4BL 0.8719
769 HX3 0.8717
770 CFP 0.8717
771 24B 0.8713
772 3Z8 0.8713
773 TH0 0.8712
774 2AK 0.8712
775 CSS 0.8711
776 PEY 0.8711
777 AG2 0.8710
778 6GU 0.8710
779 4JU 0.8710
780 NOJ 0.8709
781 ZGL 0.8709
782 N8Y 0.8708
783 3HP 0.8708
784 LTL 0.8706
785 AZA 0.8706
786 OXQ 0.8705
787 HQD 0.8705
788 7BC 0.8705
789 HIC 0.8702
790 OXC 0.8699
791 DQU 0.8696
792 M5E 0.8696
793 GF4 0.8696
794 F4K 0.8695
795 R8S 0.8694
796 PAH 0.8691
797 B62 0.8691
798 PY7 0.8691
799 6CS 0.8689
800 54G 0.8688
801 QIC 0.8687
802 1SH 0.8687
803 DOR 0.8687
804 IP8 0.8686
805 CTS 0.8684
806 5JQ 0.8684
807 CK2 0.8683
808 4MU 0.8682
809 DBX 0.8681
810 I3E 0.8681
811 QX4 0.8678
812 OMD 0.8677
813 QWW 0.8677
814 SRO 0.8674
815 0FO 0.8674
816 61M 0.8673
817 B55 0.8672
818 JND 0.8671
819 AW5 0.8671
820 RBJ 0.8671
821 DHY 0.8670
822 P7Y 0.8670
823 K5W 0.8670
824 PD2 0.8670
825 5AC 0.8669
826 2LP 0.8664
827 41K 0.8664
828 XAN 0.8663
829 ADE 0.8662
830 DHQ 0.8659
831 RNO 0.8659
832 XYP 0.8657
833 282 0.8657
834 2PG 0.8656
835 2FQ 0.8656
836 BTY 0.8656
837 R9Y 0.8656
838 4JC 0.8654
839 0CU 0.8653
840 AQO 0.8651
841 PE0 0.8651
842 QUS 0.8651
843 TZE 0.8650
844 ABN 0.8650
845 PDC 0.8649
846 7ME 0.8649
847 3SK 0.8648
848 4HM 0.8648
849 X48 0.8647
850 HE2 0.8646
851 HPA 0.8646
852 6MP 0.8646
853 RHU 0.8644
854 AZG 0.8644
855 DGJ 0.8643
856 D1X 0.8641
857 BHH 0.8640
858 EVF 0.8640
859 150 0.8639
860 LDU 0.8638
861 4ME 0.8637
862 VNJ 0.8636
863 QX2 0.8636
864 OOG 0.8635
865 8TX 0.8634
866 BDP 0.8634
867 KVP 0.8634
868 32X 0.8631
869 EXD 0.8630
870 EUG 0.8630
871 DX4 0.8629
872 NSP 0.8626
873 UFV 0.8625
874 9YL 0.8625
875 GZ2 0.8625
876 ACA 0.8623
877 FDR 0.8623
878 3S5 0.8622
879 AT3 0.8622
880 4TU 0.8621
881 9X7 0.8619
882 PC 0.8618
883 BVA 0.8617
884 GO2 0.8617
885 AVI 0.8615
886 BZJ 0.8612
887 MAJ 0.8611
888 A2F 0.8610
889 92P 0.8610
890 GJP 0.8609
891 MEW 0.8608
892 SWD 0.8607
893 BP1 0.8606
894 MVN 0.8605
895 B1J 0.8605
896 OHP 0.8602
897 GBD 0.8597
898 DNF 0.8596
899 MCT 0.8594
900 4XS 0.8593
901 56D 0.8591
902 ADZ 0.8589
903 3WA 0.8586
904 1WG 0.8585
905 E3X 0.8583
906 BML 0.8582
907 DEE 0.8581
908 5MK 0.8581
909 XHP 0.8578
910 650 0.8578
911 10L 0.8577
912 TTY 0.8575
913 129 0.8575
914 3DM 0.8573
915 EQT 0.8573
916 OVP 0.8572
917 Q6T 0.8571
918 3IT 0.8570
919 C2Y 0.8570
920 BCP 0.8569
921 SOE 0.8567
922 2EC 0.8559
923 7NI 0.8557
924 8IG 0.8555
925 TOF 0.8551
926 PPT 0.8549
927 42A 0.8541
928 P80 0.8533
929 B57 0.8530
930 3QV 0.8523
931 3AE 0.8515
932 V55 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5R8Q; Ligand: JGY; 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: 5r8q.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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