Receptor
PDB id Resolution Class Description Source Keywords
4YRD 2.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CAPF WITH INHIBITOR 3-ISOPROPENYL-TROPO STAPHYLOCOCCUS AUREUS (STRAIN MU50 / A700699) CAPF CUPIN CAPSULAR POLYSACCHARIDE STAPHYLOCOCCUS AUREUS OXIDOREDUCTASE-INHIBITOR COMPLEX
Ref.: DISCOVERY AND CHARACTERIZATION OF NATURAL TROPOLONE INHIBITORS OF THE ANTIBACTERIAL TARGET CAPF FROM STAPHYLOCOCCUS AUREUS. SCI REP V. 5 15337 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:401;
B:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
3IT B:402;
A:402;
Valid;
Valid;
none;
none;
Kd = 27 uM
162.185 C10 H10 O2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YRD 2.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CAPF WITH INHIBITOR 3-ISOPROPENYL-TROPO STAPHYLOCOCCUS AUREUS (STRAIN MU50 / A700699) CAPF CUPIN CAPSULAR POLYSACCHARIDE STAPHYLOCOCCUS AUREUS OXIDOREDUCTASE-INHIBITOR COMPLEX
Ref.: DISCOVERY AND CHARACTERIZATION OF NATURAL TROPOLONE INHIBITORS OF THE ANTIBACTERIAL TARGET CAPF FROM STAPHYLOCOCCUS AUREUS. SCI REP V. 5 15337 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4YRD Kd = 27 uM 3IT C10 H10 O2 CC(=C)C1=C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4YRD Kd = 27 uM 3IT C10 H10 O2 CC(=C)C1=C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4YRD Kd = 27 uM 3IT C10 H10 O2 CC(=C)C1=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3IT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3IT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3IT; Similar ligands found: 1158
No: Ligand Similarity coefficient
1 HHA 0.9801
2 BGC 0.9799
3 8S0 0.9763
4 G3F 0.9749
5 BDP 0.9741
6 GLC 0.9728
7 3HA 0.9725
8 3F0 0.9708
9 DBH 0.9701
10 LGC 0.9696
11 15L 0.9683
12 FE DB1 0.9678
13 3M0 0.9678
14 GCS 0.9670
15 Q6T 0.9664
16 JBK 0.9661
17 ASO 0.9658
18 AKH 0.9655
19 GCU 0.9642
20 CN0 0.9631
21 UNC 0.9627
22 42C 0.9622
23 GAL 0.9615
24 7NI 0.9603
25 FOT 0.9597
26 4AA 0.9594
27 24W 0.9588
28 IJZ 0.9586
29 IFM 0.9585
30 KBG 0.9582
31 IFL 0.9573
32 APZ 0.9573
33 HJP 0.9572
34 1SQ 0.9567
35 DIN 0.9565
36 DHK 0.9564
37 32X 0.9564
38 NOJ 0.9563
39 GCB 0.9560
40 GDE 0.9556
41 G2F 0.9552
42 4YS 0.9546
43 DHQ 0.9544
44 ES1 0.9544
45 1NP 0.9542
46 A7W 0.9541
47 MRW 0.9537
48 5SG 0.9531
49 NOY 0.9531
50 1LQ 0.9526
51 5IQ 0.9526
52 ADZ 0.9524
53 EVA 0.9521
54 Q24 0.9519
55 3MG 0.9519
56 JBH 0.9518
57 JPZ 0.9518
58 HQY 0.9517
59 N5J 0.9512
60 4NC 0.9511
61 GTR 0.9510
62 1LM 0.9509
63 SJ5 0.9505
64 XX2 0.9504
65 KUF 0.9503
66 MT5 0.9501
67 DBJ 0.9500
68 0P6 0.9500
69 5Q0 0.9499
70 O72 0.9497
71 TTL 0.9490
72 SYA 0.9490
73 8CM 0.9489
74 AJV 0.9486
75 KJH 0.9486
76 LCN 0.9486
77 CWS 0.9484
78 7B4 0.9483
79 5WY 0.9482
80 KT7 0.9481
81 C2U 0.9480
82 DOR 0.9478
83 12Q 0.9478
84 G5V 0.9476
85 3Z8 0.9476
86 SOR 0.9475
87 495 0.9468
88 9MG 0.9467
89 JBQ 0.9466
90 FH2 0.9466
91 5QX 0.9463
92 SHG 0.9459
93 PE0 0.9459
94 94B 0.9458
95 23A 0.9455
96 ORO 0.9454
97 2H5 0.9451
98 KJY 0.9449
99 GLA 0.9448
100 0N7 0.9445
101 4ME 0.9444
102 FDK 0.9444
103 92K 0.9443
104 SKM 0.9442
105 3WA 0.9441
106 7VS 0.9439
107 AZ9 0.9438
108 J9W 0.9437
109 M1Q 0.9437
110 OXC 0.9436
111 GLT 0.9436
112 34D 0.9435
113 PYQ 0.9433
114 2LY 0.9432
115 MUA 0.9431
116 ADA 0.9429
117 HQD 0.9428
118 4HC 0.9421
119 MO8 0.9416
120 TTY 0.9415
121 AQO 0.9413
122 AZ8 0.9412
123 HLZ 0.9410
124 HNQ 0.9410
125 AW5 0.9409
126 MT0 0.9408
127 CFF 0.9408
128 DHB 0.9408
129 AJ2 0.9407
130 QPR 0.9406
131 7W1 0.9406
132 DFB 0.9405
133 GRE 0.9402
134 XYP 0.9402
135 HZQ 0.9401
136 M5K 0.9399
137 PXL 0.9395
138 1GN 0.9395
139 DPZ 0.9394
140 TOF 0.9394
141 MEW 0.9394
142 JUG 0.9392
143 ZXD 0.9392
144 O2A 0.9390
145 M2K 0.9390
146 GCW 0.9388
147 ASC 0.9387
148 M6N 0.9386
149 BTE 0.9385
150 948 0.9384
151 2ZQ 0.9383
152 FGZ 0.9382
153 HXX 0.9382
154 HQT 0.9378
155 B60 0.9377
156 GIO 0.9376
157 6M1 0.9376
158 MAQ 0.9375
159 SAL 0.9375
160 CTL 0.9373
161 7ZE 0.9373
162 K5W 0.9373
163 VNL 0.9371
164 NNO 0.9370
165 F12 0.9370
166 DRL 0.9370
167 12B 0.9368
168 R8V 0.9365
169 9KT 0.9365
170 LKA 0.9364
171 RXA 0.9362
172 GTQ 0.9362
173 SKA 0.9361
174 3HB 0.9361
175 INO 0.9360
176 NDH 0.9360
177 TEP 0.9360
178 4CS 0.9358
179 ES0 0.9356
180 4XH 0.9356
181 6CS 0.9354
182 X6X 0.9352
183 2HO 0.9351
184 G1O 0.9348
185 5RG 0.9348
186 SOE 0.9348
187 MNM 0.9345
188 NQ 0.9344
189 VK3 0.9343
190 BMA 0.9342
191 2D0 0.9341
192 KFH 0.9340
193 BE2 0.9340
194 93K 0.9340
195 8XQ 0.9338
196 293 0.9338
197 D1X 0.9336
198 6F0 0.9335
199 FHB 0.9335
200 92P 0.9335
201 JLZ 0.9334
202 AFR 0.9332
203 B57 0.9331
204 ICO 0.9330
205 C2Y 0.9330
206 37T 0.9330
207 NID 0.9328
208 HH8 0.9328
209 4A3 0.9328
210 E7Z 0.9327
211 5RN 0.9327
212 25W 0.9326
213 CWM 0.9326
214 GYE 0.9325
215 4P0 0.9323
216 MYJ 0.9322
217 3DO 0.9322
218 LI6 0.9321
219 5M0 0.9321
220 3HM 0.9321
221 329 0.9320
222 SWA 0.9320
223 PFB 0.9317
224 7ME 0.9314
225 Q88 0.9313
226 82I 0.9312
227 ZZ8 0.9312
228 3U4 0.9310
229 HPA 0.9309
230 3OC 0.9308
231 OXZ 0.9306
232 DMJ 0.9306
233 2FG 0.9304
234 P3K 0.9304
235 GAB 0.9304
236 03V 0.9302
237 P9P 0.9301
238 54G 0.9300
239 GAF 0.9300
240 XHP 0.9300
241 5RO 0.9300
242 URC 0.9299
243 39A 0.9298
244 F31 0.9298
245 GLF 0.9297
246 4MU 0.9297
247 QSH 0.9297
248 BEA 0.9293
249 G6D 0.9293
250 EA1 0.9292
251 2EC 0.9292
252 B62 0.9292
253 X05 0.9292
254 ALL 0.9290
255 LXC 0.9290
256 9TW 0.9290
257 MAN 0.9289
258 PA1 0.9288
259 6ME 0.9286
260 NTZ 0.9285
261 4Z4 0.9284
262 DIU 0.9284
263 67N 0.9279
264 WOO 0.9279
265 3NT 0.9278
266 ES5 0.9276
267 5MK 0.9276
268 2ZV 0.9276
269 AIN 0.9276
270 SHA 0.9276
271 CHB 0.9275
272 7WR 0.9274
273 FA0 0.9274
274 QBK 0.9272
275 GZL 0.9272
276 ES6 0.9271
277 2AQ 0.9270
278 N8Y 0.9269
279 GV9 0.9268
280 UFO 0.9267
281 GIV 0.9267
282 3PF 0.9267
283 44V 0.9266
284 Z5P 0.9266
285 ISE 0.9265
286 0FO 0.9265
287 SXS 0.9263
288 INS 0.9263
289 DGJ 0.9262
290 2AK 0.9259
291 OA3 0.9259
292 7HQ 0.9259
293 3ID 0.9259
294 149 0.9258
295 L7T 0.9258
296 44W 0.9256
297 39O 0.9256
298 2FQ 0.9255
299 JB5 0.9255
300 XAZ 0.9254
301 1XN 0.9254
302 JXN 0.9253
303 53C 0.9252
304 MBG 0.9251
305 OVV 0.9251
306 9PY 0.9250
307 DQU 0.9250
308 CTS 0.9249
309 QSB 0.9249
310 IV2 0.9248
311 G3E 0.9244
312 5QY 0.9244
313 COU 0.9243
314 YSO 0.9242
315 XXP 0.9241
316 3AB 0.9239
317 I6G 0.9239
318 NDM 0.9238
319 D07 0.9238
320 OCH 0.9237
321 7WA 0.9237
322 4FS 0.9237
323 GM7 0.9237
324 CFP 0.9236
325 0W8 0.9235
326 GJS 0.9234
327 ES7 0.9233
328 5CU 0.9232
329 9DG 0.9232
330 QX4 0.9231
331 75K 0.9231
332 XQG 0.9230
333 8GC 0.9230
334 KGK 0.9229
335 H42 0.9228
336 KIB 0.9228
337 GUN 0.9227
338 4SV 0.9227
339 DOB 0.9226
340 10L 0.9226
341 5HN 0.9226
342 3FH 0.9226
343 M1A 0.9225
344 INE 0.9223
345 LT2 0.9222
346 JBE 0.9221
347 SX1 0.9220
348 AZA 0.9220
349 B55 0.9219
350 I3A 0.9219
351 1P7 0.9218
352 5WV 0.9217
353 209 0.9216
354 MVN 0.9216
355 KKN 0.9215
356 2CK 0.9214
357 ADE 0.9213
358 8TX 0.9213
359 ISN 0.9213
360 OTW 0.9213
361 BHA 0.9212
362 7HP 0.9212
363 BTY 0.9211
364 5NU 0.9211
365 4M0 0.9210
366 EXO 0.9209
367 IGA 0.9207
368 DNF 0.9207
369 9HX 0.9206
370 AHR 0.9205
371 M4E 0.9204
372 XAN 0.9204
373 XXR 0.9201
374 5WX 0.9201
375 SE2 0.9200
376 DQN 0.9199
377 3RI 0.9199
378 AZF 0.9199
379 JKE 0.9198
380 4JT 0.9197
381 GZ8 0.9196
382 LYL 0.9196
383 ZB1 0.9195
384 GOX 0.9193
385 3RK 0.9192
386 3MB 0.9192
387 M0Q 0.9191
388 3DM 0.9190
389 VNJ 0.9189
390 SVN 0.9189
391 H33 0.9188
392 9DA 0.9187
393 S76 0.9186
394 YQA 0.9185
395 1X7 0.9185
396 IHB 0.9185
397 D48 0.9184
398 QAT 0.9181
399 F05 0.9180
400 2A7 0.9180
401 141 0.9180
402 FUL 0.9179
403 SYV 0.9179
404 NPY 0.9179
405 8WT 0.9179
406 MZB 0.9178
407 GXL 0.9178
408 WCE 0.9178
409 NTM 0.9178
410 6M9 0.9177
411 ZVO 0.9175
412 M0W 0.9174
413 2MN 0.9173
414 FLV 0.9172
415 YIO 0.9172
416 226 0.9170
417 ADK 0.9167
418 3MA 0.9167
419 NMJ 0.9166
420 TAG 0.9165
421 ZWZ 0.9163
422 RAM 0.9162
423 5JQ 0.9162
424 FBT 0.9161
425 FDB 0.9161
426 8WO 0.9161
427 RPQ 0.9160
428 J5I 0.9159
429 4XV 0.9158
430 1KP 0.9158
431 OVM 0.9158
432 QAS 0.9157
433 UEG 0.9157
434 A2F 0.9156
435 AZG 0.9153
436 CLZ 0.9151
437 DMD 0.9150
438 SRO 0.9150
439 6BL 0.9149
440 290 0.9148
441 5B1 0.9144
442 R9Y 0.9144
443 3BZ 0.9144
444 IPB 0.9144
445 DIE 0.9144
446 LNR 0.9143
447 EMZ 0.9142
448 X8D 0.9141
449 Q7A 0.9140
450 6AP 0.9140
451 QUZ 0.9140
452 7W4 0.9139
453 JTH 0.9139
454 42A 0.9138
455 7D2 0.9138
456 0JD 0.9138
457 8IG 0.9137
458 PX7 0.9135
459 LZM 0.9134
460 M1E 0.9133
461 BNT 0.9133
462 XQ0 0.9132
463 6MP 0.9130
464 LSA 0.9130
465 EQT 0.9130
466 F0J 0.9129
467 FBU 0.9129
468 680 0.9129
469 0RW 0.9127
470 MSN 0.9127
471 FBG 0.9124
472 KJU 0.9124
473 D3M 0.9122
474 9TZ 0.9120
475 BP1 0.9120
476 PHH 0.9119
477 BCF 0.9119
478 6M4 0.9116
479 M1H 0.9115
480 1U6 0.9114
481 PXM 0.9113
482 5JL 0.9113
483 2AL 0.9112
484 3SK 0.9111
485 RM1 0.9108
486 0HO 0.9107
487 F81 0.9106
488 1WD 0.9105
489 PRZ 0.9103
490 NVU 0.9103
491 DX4 0.9102
492 GIM 0.9101
493 IF7 0.9101
494 RB5 0.9101
495 7WV 0.9099
496 HTP 0.9099
497 LDP 0.9099
498 KOJ 0.9098
499 ZZ3 0.9096
500 J9T 0.9096
501 FA3 0.9095
502 1PT 0.9095
503 V55 0.9094
504 G4D 0.9092
505 AEZ 0.9092
506 BBF 0.9091
507 AJY 0.9090
508 K3Q 0.9089
509 1XM 0.9088
510 6GU 0.9087
511 L99 0.9087
512 SVD 0.9084
513 86J 0.9083
514 JKZ 0.9082
515 BRT 0.9080
516 Q71 0.9080
517 PHT 0.9078
518 C9E 0.9078
519 VXX 0.9078
520 9EW 0.9077
521 J9Q 0.9077
522 L3Q 0.9075
523 JG8 0.9073
524 3CU 0.9073
525 7B3 0.9072
526 ZYR 0.9072
527 PM6 0.9072
528 2FY 0.9072
529 YH7 0.9071
530 LDR 0.9071
531 A13 0.9071
532 97T 0.9069
533 QIC 0.9068
534 PDC 0.9068
535 JIF 0.9067
536 LAO 0.9066
537 IP0 0.9066
538 F5B 0.9065
539 23J 0.9065
540 RAT 0.9064
541 SRT 0.9064
542 KLW 0.9064
543 DNC 0.9063
544 KBB 0.9062
545 UAN 0.9061
546 2HQ 0.9060
547 4XS 0.9060
548 7VJ 0.9060
549 DEE 0.9059
550 2LP 0.9059
551 MVL 0.9058
552 3NY 0.9056
553 1QP 0.9055
554 PEY 0.9053
555 GCV 0.9053
556 0CU 0.9053
557 EKZ 0.9052
558 6DP 0.9052
559 H6B 0.9051
560 069 0.9051
561 TFU 0.9051
562 PCI 0.9050
563 KIA 0.9049
564 8ZE 0.9048
565 DQA 0.9047
566 3R6 0.9047
567 IPZ 0.9047
568 0MK 0.9046
569 5OB 0.9046
570 ARB 0.9046
571 28N 0.9045
572 GOG 0.9044
573 HFB 0.9044
574 UQ 0.9042
575 GT0 0.9042
576 EYK 0.9042
577 PRF 0.9042
578 4HM 0.9040
579 EJZ 0.9038
580 1P3 0.9038
581 0HN 0.9038
582 MIG 0.9037
583 IBF 0.9036
584 JAE 0.9035
585 289 0.9035
586 RNS 0.9035
587 4XR 0.9035
588 FBV 0.9034
589 JR2 0.9033
590 NGO 0.9032
591 9AP 0.9032
592 BDF 0.9030
593 II6 0.9030
594 TWO 0.9030
595 4SX 0.9029
596 FP1 0.9028
597 EUG 0.9028
598 4M4 0.9028
599 GIF 0.9026
600 0XT 0.9026
601 1F1 0.9024
602 FSW 0.9021
603 GTZ 0.9020
604 X09 0.9019
605 FCA 0.9019
606 5WU 0.9019
607 UFV 0.9017
608 BZX 0.9015
609 MWP 0.9013
610 XYS 0.9013
611 DBX 0.9012
612 MJ2 0.9012
613 6LW 0.9012
614 5XC 0.9012
615 2ZM 0.9011
616 BZ3 0.9010
617 SWD 0.9010
618 SLC 0.9010
619 BSX 0.9009
620 BEN 0.9008
621 261 0.9008
622 BOA 0.9008
623 FBM 0.9008
624 BK9 0.9005
625 ABI 0.9005
626 BPU 0.9004
627 6PC 0.9003
628 RIB 0.9002
629 BCU 0.9002
630 EV0 0.9002
631 6AI 0.9002
632 MS9 0.9001
633 2CQ 0.9001
634 HA7 0.8999
635 AMG 0.8999
636 VOH 0.8998
637 X0V 0.8998
638 ES4 0.8997
639 YCP 0.8997
640 F9P 0.8996
641 173 0.8994
642 FBW 0.8994
643 BEZ 0.8993
644 KYA 0.8992
645 NIZ 0.8992
646 5GU 0.8991
647 6NT 0.8991
648 06B 0.8990
649 HKD 0.8990
650 7MU 0.8989
651 PHB 0.8989
652 A29 0.8987
653 XM0 0.8986
654 NCA 0.8985
655 OMD 0.8983
656 ABV 0.8983
657 ARA 0.8983
658 7MH 0.8983
659 F4Z 0.8982
660 3A9 0.8982
661 NPO 0.8982
662 FCB 0.8981
663 TIY 0.8981
664 IFP 0.8979
665 HLR 0.8979
666 HMU 0.8976
667 B5D 0.8975
668 5CL 0.8973
669 ZZZ 0.8972
670 PQ0 0.8972
671 FEH 0.8971
672 4JQ 0.8971
673 1WG 0.8969
674 9FL 0.8967
675 64K 0.8967
676 QWN 0.8967
677 AC6 0.8967
678 0FN 0.8966
679 F3B 0.8964
680 2KA 0.8964
681 2CZ 0.8962
682 95Z 0.8962
683 270 0.8962
684 BHO 0.8962
685 150 0.8961
686 4TU 0.8961
687 15N 0.8960
688 AGK 0.8959
689 2CL 0.8959
690 ODO 0.8957
691 8W9 0.8956
692 7CZ 0.8956
693 5NE 0.8956
694 PH2 0.8955
695 HA5 0.8955
696 RM4 0.8954
697 FDR 0.8954
698 PAB 0.8954
699 ROI 0.8953
700 TGX 0.8953
701 N2I 0.8953
702 5MB 0.8953
703 TRA 0.8952
704 AX7 0.8952
705 MT8 0.8952
706 GXY 0.8951
707 6VD 0.8951
708 F60 0.8950
709 FB1 0.8950
710 14O 0.8949
711 5MI 0.8949
712 45C 0.8949
713 FHN 0.8947
714 JND 0.8947
715 0LH 0.8945
716 EGR 0.8944
717 FUF 0.8943
718 MFB 0.8943
719 1IT 0.8943
720 TH7 0.8943
721 XIY 0.8942
722 G12 0.8942
723 5H1 0.8942
724 PBC 0.8942
725 NCD 0.8939
726 FYU 0.8939
727 DX3 0.8938
728 AS3 0.8938
729 HH5 0.8938
730 FBB 0.8937
731 12M 0.8937
732 MQN 0.8936
733 QX2 0.8936
734 0FK 0.8934
735 UNU 0.8934
736 XCZ 0.8934
737 ARW 0.8934
738 4P5 0.8932
739 PYG 0.8931
740 8HC 0.8931
741 2MI 0.8930
742 JAW 0.8930
743 NIO 0.8929
744 9CA 0.8929
745 18N 0.8929
746 6NI 0.8929
747 JZ3 0.8928
748 F1A 0.8928
749 1AL 0.8928
750 K6X 0.8927
751 PBZ 0.8927
752 GOO 0.8926
753 6RQ 0.8925
754 QSC 0.8925
755 HX3 0.8925
756 BAM 0.8925
757 NBZ 0.8925
758 0TR 0.8923
759 2XX 0.8922
760 826 0.8922
761 3TJ 0.8921
762 0R0 0.8921
763 CBF 0.8920
764 TC7 0.8920
765 1DW 0.8920
766 2HU 0.8920
767 2A9 0.8920
768 TLA 0.8920
769 ES9 0.8919
770 3Z7 0.8917
771 TBS 0.8917
772 PZI 0.8916
773 4YO 0.8916
774 PFL 0.8915
775 QXW 0.8914
776 P72 0.8913
777 CFI 0.8913
778 1LN 0.8913
779 20J 0.8912
780 24B 0.8912
781 15E 0.8911
782 FLC 0.8911
783 ISZ 0.8910
784 0TU 0.8910
785 7MK 0.8910
786 GJP 0.8910
787 FUD 0.8909
788 11S 0.8908
789 HHR 0.8907
790 HIO 0.8907
791 SS1 0.8907
792 P92 0.8906
793 FUC 0.8906
794 HBD 0.8905
795 GCO 0.8905
796 QWW 0.8904
797 HIS 0.8904
798 3CE 0.8903
799 BSP 0.8902
800 ET2 0.8902
801 AC0 0.8901
802 GTL 0.8901
803 51R 0.8900
804 AY4 0.8900
805 I1N 0.8899
806 6OT 0.8899
807 NK 0.8899
808 2K4 0.8898
809 4ZC 0.8897
810 GMN 0.8894
811 1Y6 0.8892
812 T6C 0.8891
813 0F9 0.8891
814 HQJ 0.8890
815 1HN 0.8888
816 8GK 0.8888
817 52C 0.8887
818 5NI 0.8887
819 BCP 0.8887
820 EOL 0.8886
821 HLD 0.8886
822 4MA 0.8885
823 45L 0.8884
824 4RU 0.8883
825 M1Z 0.8883
826 JFD 0.8882
827 R8A 0.8881
828 I1E 0.8880
829 B53 0.8880
830 JU2 0.8880
831 IDM 0.8879
832 4FH 0.8879
833 TAR 0.8878
834 1M2 0.8877
835 2PG 0.8877
836 DEN 0.8876
837 JDN 0.8876
838 XSP 0.8875
839 XXG 0.8874
840 60P 0.8874
841 64C 0.8874
842 E35 0.8874
843 MMA 0.8874
844 H4N 0.8872
845 R9S 0.8871
846 JB8 0.8870
847 3XX 0.8870
848 JZ1 0.8870
849 GLY PRO 0.8869
850 FRU 0.8868
851 W81 0.8866
852 JZ9 0.8865
853 286 0.8865
854 MFU 0.8864
855 JYB 0.8864
856 TSS 0.8863
857 1P8 0.8862
858 ES2 0.8860
859 K2T 0.8860
860 0GZ 0.8860
861 260 0.8859
862 SW7 0.8858
863 H7Y 0.8858
864 FK1 0.8857
865 9KH 0.8857
866 GBD 0.8856
867 K17 0.8853
868 PZA 0.8853
869 FA1 0.8851
870 N7P 0.8851
871 QOS 0.8850
872 DHS 0.8850
873 3C2 0.8848
874 ESI 0.8847
875 E7R 0.8846
876 ONR 0.8845
877 GYP 0.8845
878 B0D 0.8845
879 H62 0.8844
880 VGD 0.8843
881 IT2 0.8842
882 CLW 0.8842
883 LZ2 0.8842
884 2C9 0.8842
885 36R 0.8841
886 ZZT 0.8841
887 N3W 0.8839
888 B2J 0.8839
889 IND 0.8839
890 HMH 0.8837
891 NTN 0.8835
892 KYD 0.8835
893 57O 0.8834
894 CIT 0.8834
895 ENL 0.8833
896 NK2 0.8833
897 61M 0.8831
898 6KX 0.8831
899 9R5 0.8830
900 0W1 0.8830
901 DUB 0.8827
902 VGL 0.8826
903 E1T 0.8826
904 FAN 0.8826
905 463 0.8824
906 M58 0.8823
907 CH9 0.8823
908 MXN 0.8822
909 6FZ 0.8821
910 MNN 0.8820
911 35C 0.8820
912 3GQ 0.8820
913 PD2 0.8819
914 KJ5 0.8819
915 BZI 0.8818
916 KDV 0.8817
917 MR1 0.8817
918 4WL 0.8817
919 V6F 0.8815
920 1DJ 0.8813
921 H5B 0.8811
922 MBD 0.8811
923 DFU 0.8810
924 2BG 0.8810
925 ESP 0.8809
926 PHU 0.8808
927 4AV 0.8807
928 R8S 0.8806
929 5NS 0.8804
930 505 0.8803
931 7N0 0.8803
932 ALA PRO 0.8802
933 N8P 0.8799
934 9FE 0.8799
935 KP6 0.8798
936 URF 0.8797
937 X0W 0.8797
938 BNS 0.8796
939 RIP 0.8796
940 Q77 0.8795
941 OTD 0.8794
942 MCT 0.8793
943 0R1 0.8792
944 4ZA 0.8792
945 KTA 0.8791
946 1A7 0.8790
947 2MY 0.8790
948 4VS 0.8789
949 3C1 0.8789
950 APS 0.8788
951 4JP 0.8787
952 CXF 0.8787
953 NLA 0.8785
954 9ZE 0.8784
955 174 0.8784
956 4HO 0.8784
957 6MH 0.8784
958 6XI 0.8784
959 MPI 0.8784
960 ARP 0.8783
961 717 0.8783
962 LZ1 0.8782
963 6R8 0.8781
964 GVH 0.8780
965 8NY 0.8780
966 3MC 0.8779
967 XBZ 0.8778
968 NAG 0.8778
969 CCV 0.8777
970 SYR 0.8777
971 BZF 0.8776
972 LT8 0.8776
973 30G 0.8776
974 AH8 0.8774
975 SF9 0.8774
976 5VM 0.8772
977 LRH 0.8770
978 BZ2 0.8770
979 4AN 0.8769
980 2CM 0.8767
981 HDL 0.8767
982 X8Z 0.8767
983 A1U 0.8766
984 8H8 0.8765
985 0CT 0.8764
986 2GS 0.8764
987 3AL 0.8763
988 4ZE 0.8761
989 TDR 0.8760
990 PBA 0.8760
991 TBP 0.8759
992 K32 0.8759
993 3MH 0.8759
994 AMC 0.8758
995 TPA 0.8756
996 SLS 0.8755
997 GNM 0.8755
998 IBM 0.8755
999 4KL 0.8754
1000 FLM 0.8752
1001 2YU 0.8752
1002 2AC 0.8752
1003 XQK 0.8751
1004 CIP 0.8750
1005 AX3 0.8750
1006 HT4 0.8749
1007 2MP 0.8749
1008 FFP 0.8748
1009 XM5 0.8746
1010 TM7 0.8746
1011 L5V 0.8745
1012 4CL 0.8745
1013 WBU 0.8744
1014 JZ4 0.8743
1015 27Y 0.8742
1016 5JC 0.8742
1017 IAC 0.8742
1018 PJW 0.8741
1019 8NX 0.8741
1020 IPM 0.8741
1021 K22 0.8740
1022 34A 0.8739
1023 XDE 0.8739
1024 HY1 0.8737
1025 EDR 0.8737
1026 GLO 0.8737
1027 HDH 0.8736
1028 XYD 0.8734
1029 39U 0.8734
1030 Z82 0.8733
1031 BPY 0.8733
1032 3FA 0.8732
1033 JFJ 0.8732
1034 091 0.8732
1035 MHK 0.8731
1036 BR9 0.8728
1037 7I2 0.8728
1038 GAG 0.8725
1039 27B 0.8724
1040 7MX 0.8723
1041 P84 0.8722
1042 SFU 0.8721
1043 PRY 0.8721
1044 4JJ 0.8720
1045 1XA 0.8720
1046 KTW 0.8720
1047 OHP 0.8720
1048 HBA 0.8720
1049 1MC 0.8719
1050 MWJ 0.8718
1051 BR8 0.8717
1052 FA6 0.8717
1053 LFR 0.8714
1054 8XL 0.8714
1055 5VL 0.8712
1056 JZ2 0.8708
1057 2TQ 0.8705
1058 6QF 0.8702
1059 2D3 0.8700
1060 EXD 0.8699
1061 FPK 0.8699
1062 8OZ 0.8698
1063 RMN 0.8696
1064 ICB 0.8696
1065 TM4 0.8695
1066 F9Y 0.8693
1067 OXQ 0.8690
1068 TT4 0.8690
1069 PAF 0.8689
1070 5MH 0.8684
1071 ICP 0.8683
1072 PYD 0.8683
1073 HQ9 0.8680
1074 SEJ 0.8679
1075 PMB 0.8676
1076 GVG 0.8675
1077 6X9 0.8674
1078 JP2 0.8673
1079 54X 0.8673
1080 H76 0.8672
1081 43M 0.8671
1082 2DR 0.8671
1083 94N 0.8668
1084 BZJ 0.8668
1085 5AC 0.8667
1086 RHU 0.8667
1087 RSO 0.8665
1088 PBR 0.8664
1089 TH0 0.8663
1090 W8G 0.8661
1091 K8X 0.8661
1092 5UC 0.8660
1093 NSP 0.8659
1094 E5X 0.8658
1095 RD4 0.8658
1096 5AN 0.8656
1097 42J 0.8656
1098 MZG 0.8655
1099 PHE 0.8654
1100 68A 0.8651
1101 5VJ 0.8646
1102 F2W 0.8646
1103 7CT 0.8646
1104 2ZX 0.8644
1105 Y8I 0.8642
1106 13X 0.8642
1107 692 0.8641
1108 EDG 0.8638
1109 HY3 0.8638
1110 TZE 0.8636
1111 3R9 0.8635
1112 TIU 0.8635
1113 ESX 0.8635
1114 OAA 0.8635
1115 NBG 0.8634
1116 6UA 0.8632
1117 ERH 0.8630
1118 ANN 0.8630
1119 KDF 0.8629
1120 QY9 0.8628
1121 FPY 0.8624
1122 GDL 0.8624
1123 TRC 0.8623
1124 C2A 0.8617
1125 2K8 0.8616
1126 AX2 0.8615
1127 DHY 0.8613
1128 5ZE 0.8607
1129 FCR 0.8607
1130 AA 0.8606
1131 RSF 0.8601
1132 4VP 0.8599
1133 M5H 0.8596
1134 V1T 0.8591
1135 ANF 0.8590
1136 FB2 0.8589
1137 TYL 0.8586
1138 0RN 0.8585
1139 HHT 0.8580
1140 NDG 0.8577
1141 3PG 0.8577
1142 FBS 0.8574
1143 REL 0.8573
1144 K34 0.8570
1145 6TZ 0.8568
1146 PIM 0.8567
1147 TSU 0.8561
1148 PEA 0.8560
1149 EN1 0.8560
1150 DCO 0.8557
1151 PEZ 0.8553
1152 SAN 0.8552
1153 FPI 0.8541
1154 PIY 0.8537
1155 MCO 0.8537
1156 PNZ 0.8537
1157 4J8 0.8526
1158 HHS 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YRD; Ligand: 3IT; 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: 4yrd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4YRD; Ligand: 3IT; 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: 4yrd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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