Receptor
PDB id Resolution Class Description Source Keywords
1kmy 2 Å EC: 1.13.11.39 CRYSTAL STRUCTURE OF 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE C WITH 2,3-DIHYDROXYBIPHENYL UNDER ANAEROBIC CONDITION BURKHOLDERIA XENOVORANS DIOXYGENASE 23-DIHYDROXYBIPHENYL OXIDOREDUCTASE
Ref.: MOLECULAR BASIS FOR THE STABILIZATION AND INHIBITIO 3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE BY T-BUTANOL. J.BIOL.CHEM. V. 273 34887 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BPY A:300;
Valid;
none;
Kd = 8 uM
186.207 C12 H10 O2 c1ccc...
FE2 A:500;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
TBU A:601;
Valid;
none;
submit data
74.122 C4 H10 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LGT 1.7 Å EC: 1.13.11.39 CRYSTAL STRUCTURE OF 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE ( COMPLEXED WITH 2'-CL DIHYDROXYBIPHENYL (DHB) BURKHOLDERIA XENOVORANS EXTRADIOL DIOXYGENASE 23-DIHYDROXYBIPHENYL NON-HEME IRONANAEROBIC PCB BIODEGRADATION OXIDOREDUCTASE
Ref.: IDENTIFICATION AND ANALYSIS OF A BOTTLENECK IN PCB BIODEGRADATION NAT.STRUCT.BIOL. V. 12 934 2002
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1KND - TBU C4 H10 O CC(C)(C)O
2 1KMY Kd = 8 uM BPY C12 H10 O2 c1ccc(cc1)....
3 1LKD - BP6 C12 H8 Cl2 O2 c1cc(c(c(c....
4 1LGT Kd = 0.8 uM BP3 C12 H9 Cl O2 c1ccc(c(c1....
5 1KNF - MBD C7 H8 O2 Cc1cccc(c1....
6 1HAN - TBU C4 H10 O CC(C)(C)O
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KND - TBU C4 H10 O CC(C)(C)O
2 1KMY Kd = 8 uM BPY C12 H10 O2 c1ccc(cc1)....
3 1LKD - BP6 C12 H8 Cl2 O2 c1cc(c(c(c....
4 1LGT Kd = 0.8 uM BP3 C12 H9 Cl O2 c1ccc(c(c1....
5 1KNF - MBD C7 H8 O2 Cc1cccc(c1....
6 1HAN - TBU C4 H10 O CC(C)(C)O
7 1KW6 - BPY C12 H10 O2 c1ccc(cc1)....
8 1KW8 - BPY C12 H10 O2 c1ccc(cc1)....
9 1EIR - BPY C12 H10 O2 c1ccc(cc1)....
10 1KWC - BPY C12 H10 O2 c1ccc(cc1)....
11 1KW9 - BPY C12 H10 O2 c1ccc(cc1)....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KND - TBU C4 H10 O CC(C)(C)O
2 1KMY Kd = 8 uM BPY C12 H10 O2 c1ccc(cc1)....
3 1LKD - BP6 C12 H8 Cl2 O2 c1cc(c(c(c....
4 1LGT Kd = 0.8 uM BP3 C12 H9 Cl O2 c1ccc(c(c1....
5 1KNF - MBD C7 H8 O2 Cc1cccc(c1....
6 1HAN - TBU C4 H10 O CC(C)(C)O
7 2WL9 - MBD C7 H8 O2 Cc1cccc(c1....
8 1KW6 - BPY C12 H10 O2 c1ccc(cc1)....
9 1KW8 - BPY C12 H10 O2 c1ccc(cc1)....
10 1EIR - BPY C12 H10 O2 c1ccc(cc1)....
11 1KWC - BPY C12 H10 O2 c1ccc(cc1)....
12 1KW9 - BPY C12 H10 O2 c1ccc(cc1)....
13 2ZI8 - SDT C19 H24 O4 Cc1ccc(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BPY; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BPY 1 1
2 CH9 0.473684 0.8
3 BP3 0.431818 0.833333
Ligand no: 2; Ligand: TBU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TBU 1 1
2 CNH 0.416667 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: BPY; Similar ligands found: 1289
No: Ligand Similarity coefficient
1 977 0.9769
2 BZE 0.9751
3 JG8 0.9730
4 XDK 0.9730
5 JRB 0.9676
6 6QF 0.9670
7 B4O 0.9664
8 ANC 0.9657
9 N3W 0.9647
10 DC5 0.9641
11 PJW 0.9637
12 AN3 0.9627
13 344 0.9622
14 M3E 0.9607
15 ZYR 0.9603
16 BNL 0.9594
17 9FL 0.9593
18 6TZ 0.9592
19 1IT 0.9575
20 J9Q 0.9575
21 9CA 0.9565
22 L22 0.9561
23 AY4 0.9558
24 SV4 0.9552
25 1A7 0.9543
26 X48 0.9541
27 B2Y 0.9538
28 97T 0.9535
29 DPT 0.9532
30 52C 0.9527
31 22L 0.9521
32 5VL 0.9521
33 MPV 0.9520
34 6J9 0.9518
35 0BP 0.9514
36 L5V 0.9510
37 X11 0.9503
38 M02 0.9499
39 1HN 0.9499
40 R20 0.9498
41 S0G 0.9498
42 HQJ 0.9497
43 4RU 0.9496
44 6FB 0.9495
45 TT4 0.9492
46 3Y7 0.9482
47 BP7 0.9482
48 AA 0.9472
49 4PN 0.9470
50 GJP 0.9461
51 MOK 0.9460
52 ANF 0.9460
53 1XA 0.9458
54 8NX 0.9453
55 M5H 0.9452
56 5JT 0.9452
57 1VK 0.9452
58 GVG 0.9449
59 XFE 0.9447
60 MXD 0.9445
61 L13 0.9442
62 C53 0.9441
63 PEY 0.9440
64 GF4 0.9439
65 MSR 0.9438
66 1WC 0.9436
67 GNM 0.9435
68 2FQ 0.9435
69 BZJ 0.9433
70 4V2 0.9427
71 ZME 0.9427
72 LL1 0.9422
73 8HC 0.9420
74 3J8 0.9420
75 M1Z 0.9415
76 0FK 0.9414
77 3QV 0.9414
78 6HX 0.9409
79 363 0.9409
80 BGU 0.9406
81 3R4 0.9405
82 12T 0.9404
83 BP6 0.9401
84 E1T 0.9401
85 A9P 0.9399
86 A29 0.9397
87 S60 0.9397
88 THA 0.9395
89 MJ5 0.9392
90 68A 0.9392
91 EN1 0.9392
92 2HC 0.9391
93 CH8 0.9387
94 49O 0.9386
95 92G 0.9383
96 A1Y 0.9382
97 FPL 0.9378
98 ICB 0.9377
99 BZ2 0.9377
100 54X 0.9376
101 IWT 0.9376
102 4BL 0.9373
103 FQX 0.9369
104 0N7 0.9364
105 CK2 0.9362
106 R2P 0.9362
107 4BY 0.9361
108 ESX 0.9360
109 F69 0.9359
110 MPK 0.9359
111 PIM 0.9357
112 SNU 0.9355
113 A5E 0.9353
114 9UL 0.9349
115 NCT 0.9348
116 HX4 0.9347
117 JR2 0.9344
118 2K8 0.9344
119 X0U 0.9340
120 D48 0.9339
121 HNH 0.9336
122 9FH 0.9332
123 JP2 0.9332
124 CPZ 0.9331
125 DRG 0.9329
126 FMQ 0.9329
127 GXG 0.9326
128 61M 0.9326
129 CK1 0.9326
130 3PF 0.9325
131 428 0.9325
132 0F9 0.9323
133 2F6 0.9321
134 VXX 0.9320
135 7VP 0.9319
136 7R4 0.9317
137 3ZB 0.9317
138 5QY 0.9316
139 JF6 0.9315
140 0HO 0.9310
141 46P 0.9310
142 8XL 0.9310
143 3VX 0.9307
144 30G 0.9307
145 TZF 0.9306
146 2KU 0.9304
147 61O 0.9301
148 J5I 0.9301
149 1Z6 0.9301
150 GZ2 0.9300
151 G3E 0.9299
152 D3G 0.9299
153 0HN 0.9297
154 78Y 0.9295
155 KTJ 0.9294
156 RKV 0.9293
157 15E 0.9292
158 N91 0.9291
159 SE2 0.9291
160 15N 0.9290
161 FDR 0.9290
162 5TY 0.9289
163 5RO 0.9288
164 SQ4 0.9286
165 SQ7 0.9286
166 HJH 0.9285
167 MUK 0.9285
168 HA5 0.9283
169 HHS 0.9281
170 T2D 0.9279
171 BY5 0.9279
172 HQD 0.9279
173 AOT 0.9278
174 PPY 0.9276
175 A5H 0.9274
176 CMU 0.9272
177 XCG 0.9270
178 HNL 0.9270
179 PHE 0.9269
180 AJY 0.9268
181 UNJ 0.9268
182 E3X 0.9266
183 50C 0.9265
184 ONR 0.9263
185 DPN 0.9261
186 3A9 0.9261
187 9ZE 0.9260
188 7ZL 0.9258
189 795 0.9257
190 AMQ 0.9256
191 6FZ 0.9255
192 HNK 0.9254
193 C0H 0.9252
194 4LW 0.9251
195 FF2 0.9251
196 1F1 0.9250
197 N8Y 0.9249
198 ENO 0.9248
199 PIY 0.9248
200 V1T 0.9248
201 J9N 0.9247
202 2LY 0.9247
203 RUY 0.9247
204 2HU 0.9245
205 92P 0.9244
206 FHC 0.9242
207 0JD 0.9242
208 Z5P 0.9240
209 8WO 0.9240
210 K80 0.9239
211 2ZM 0.9239
212 ABI 0.9239
213 BCK 0.9238
214 ESI 0.9236
215 C82 0.9235
216 CLU 0.9232
217 9AP 0.9232
218 SQP 0.9230
219 8D6 0.9230
220 6RQ 0.9230
221 C1M 0.9228
222 0NX 0.9228
223 TMG 0.9224
224 KW8 0.9224
225 BIK 0.9222
226 AZ9 0.9222
227 6NT 0.9218
228 C2Y 0.9217
229 LDR 0.9216
230 6NI 0.9214
231 GO2 0.9214
232 0W1 0.9213
233 JDN 0.9210
234 39O 0.9210
235 8NB 0.9209
236 S2P 0.9207
237 AVA 0.9207
238 5NI 0.9205
239 AJV 0.9203
240 N2Z 0.9200
241 BEA 0.9200
242 ESP 0.9199
243 KF5 0.9196
244 4FF 0.9195
245 BPU 0.9195
246 CNI 0.9194
247 2JM 0.9193
248 1KP 0.9193
249 KYN 0.9191
250 HRM 0.9190
251 GZL 0.9190
252 3NY 0.9189
253 ZSP 0.9189
254 TIH 0.9186
255 EXD 0.9185
256 92K 0.9185
257 TR4 0.9182
258 4XF 0.9178
259 HBO 0.9177
260 PRL 0.9177
261 0XT 0.9177
262 F4E 0.9176
263 SHI 0.9174
264 CC5 0.9174
265 L99 0.9174
266 CP7 0.9173
267 N0Z 0.9173
268 TIY 0.9170
269 P7Y 0.9170
270 27B 0.9170
271 6PB 0.9169
272 B2T 0.9168
273 4GU 0.9167
274 209 0.9167
275 F2W 0.9167
276 HFA 0.9166
277 36Y 0.9164
278 2D2 0.9161
279 K3Y 0.9160
280 ALE 0.9160
281 N2M 0.9159
282 5F8 0.9156
283 H5B 0.9154
284 537 0.9154
285 DNF 0.9154
286 NFA 0.9153
287 3QO 0.9151
288 9W5 0.9150
289 NAG 0.9149
290 5FL 0.9148
291 M4E 0.9147
292 1Z8 0.9147
293 PH2 0.9146
294 AX3 0.9145
295 FZM 0.9143
296 BPS 0.9143
297 9FE 0.9143
298 P80 0.9143
299 FTV 0.9140
300 KYA 0.9140
301 3D8 0.9139
302 ERZ 0.9136
303 9R5 0.9136
304 QZ8 0.9133
305 TI7 0.9132
306 YZM 0.9132
307 ROI 0.9132
308 4JQ 0.9131
309 LJ3 0.9130
310 505 0.9124
311 IA2 0.9124
312 DHC 0.9123
313 4LV 0.9122
314 MMS 0.9122
315 JTA 0.9122
316 DQU 0.9121
317 TB8 0.9119
318 6KT 0.9117
319 XHP 0.9116
320 JB8 0.9114
321 6ME 0.9114
322 89J 0.9113
323 4KL 0.9112
324 3VQ 0.9109
325 MIL 0.9108
326 G12 0.9108
327 KP2 0.9107
328 AUV 0.9106
329 1L5 0.9106
330 M6H 0.9104
331 X0W 0.9103
332 MQN 0.9103
333 JCZ 0.9103
334 2GD 0.9101
335 V2Z 0.9101
336 W29 0.9100
337 56D 0.9100
338 4NB 0.9099
339 9PL 0.9098
340 GO8 0.9098
341 J9T 0.9098
342 J6W 0.9096
343 7UZ 0.9095
344 BGC 0.9095
345 6HO 0.9094
346 GNV 0.9094
347 WOE 0.9093
348 IAC 0.9092
349 EQW 0.9088
350 4WL 0.9087
351 4ZA 0.9086
352 DTY 0.9085
353 2CZ 0.9085
354 PO6 0.9085
355 4HB 0.9085
356 TYR 0.9084
357 TCC 0.9084
358 5E5 0.9084
359 LNR 0.9083
360 4MU 0.9083
361 X6P 0.9083
362 0LO 0.9083
363 E35 0.9081
364 3VW 0.9081
365 H4B 0.9081
366 PFF 0.9080
367 FCD 0.9080
368 KTW 0.9080
369 THU 0.9079
370 QUS 0.9079
371 DAH 0.9078
372 OTW 0.9077
373 VM1 0.9076
374 KMY 0.9076
375 F31 0.9076
376 ITE 0.9075
377 LI6 0.9074
378 G14 0.9074
379 YTX 0.9074
380 C2M 0.9073
381 9KT 0.9073
382 QIV 0.9073
383 YOF 0.9072
384 1FF 0.9072
385 TYL 0.9072
386 94W 0.9072
387 TZM 0.9072
388 8OB 0.9070
389 LGT 0.9070
390 3B4 0.9070
391 B62 0.9069
392 LQ2 0.9067
393 EWG 0.9067
394 ZYV 0.9066
395 RA7 0.9066
396 0TU 0.9064
397 MD6 0.9063
398 7MU 0.9063
399 E7S 0.9062
400 1BN 0.9061
401 78U 0.9061
402 SG2 0.9061
403 8W9 0.9061
404 HIS 0.9059
405 HHI 0.9059
406 KWB 0.9058
407 2O6 0.9058
408 IV2 0.9058
409 ZZA 0.9058
410 ZRK 0.9058
411 1CY 0.9057
412 D2G 0.9056
413 RVE 0.9056
414 DNQ 0.9055
415 LEL 0.9055
416 44W 0.9054
417 QBS 0.9054
418 A9O 0.9053
419 28A 0.9053
420 4ME 0.9052
421 ARP 0.9050
422 XDE 0.9049
423 FHB 0.9048
424 CXH 0.9047
425 II4 0.9047
426 TTL 0.9047
427 X6W 0.9046
428 ODK 0.9044
429 DEW 0.9044
430 H70 0.9043
431 K44 0.9043
432 DDU 0.9042
433 SAF 0.9040
434 7O4 0.9039
435 XIF XYP 0.9038
436 XYP XIF 0.9038
437 IOS 0.9038
438 8G6 0.9038
439 4Z9 0.9037
440 6Q3 0.9037
441 MFR 0.9037
442 W8G 0.9037
443 TOH 0.9036
444 APS 0.9036
445 BQ5 0.9036
446 M3H 0.9034
447 DHI 0.9033
448 C9E 0.9033
449 CTE 0.9033
450 TRP 0.9032
451 2HO 0.9032
452 C4E 0.9031
453 DHB 0.9031
454 TOF 0.9030
455 069 0.9030
456 PUE 0.9029
457 CUT 0.9029
458 7Q1 0.9028
459 WVV 0.9028
460 L03 0.9027
461 4A3 0.9026
462 MVN 0.9026
463 4I8 0.9026
464 5F5 0.9025
465 KJU 0.9025
466 A3Q 0.9024
467 TWO 0.9024
468 GCO 0.9023
469 93K 0.9023
470 0SY 0.9022
471 FK8 0.9021
472 3HM 0.9021
473 8ZE 0.9021
474 STT 0.9021
475 9FG 0.9020
476 44V 0.9020
477 HL4 0.9019
478 16Z 0.9019
479 DTR 0.9018
480 8OE 0.9018
481 CHB 0.9018
482 YIE 0.9017
483 CLZ 0.9017
484 DXK 0.9016
485 JTH 0.9016
486 EGR 0.9015
487 54F 0.9015
488 HIC 0.9015
489 SLS 0.9015
490 HC4 0.9015
491 AVI 0.9014
492 4P5 0.9014
493 EVF 0.9013
494 DIN 0.9013
495 173 0.9012
496 7QS 0.9010
497 492 0.9010
498 54E 0.9009
499 28N 0.9009
500 DX3 0.9008
501 TCA 0.9008
502 E1K 0.9007
503 CFA 0.9006
504 4NC 0.9006
505 XX2 0.9006
506 VNL 0.9006
507 HHH 0.9004
508 4BF 0.9004
509 DCZ 0.9004
510 2UB 0.9003
511 LSQ 0.9003
512 7MX 0.9003
513 H33 0.9003
514 GHM 0.9003
515 ZHA 0.9003
516 GNW 0.9002
517 XIZ 0.9000
518 PBQ 0.8999
519 60L 0.8998
520 0OL 0.8998
521 R9Y 0.8998
522 3TC 0.8997
523 WS7 0.8997
524 36E 0.8993
525 12Q 0.8992
526 Y3L 0.8991
527 KDG 0.8990
528 0FR 0.8990
529 8MO 0.8989
530 HHR 0.8988
531 692 0.8988
532 6XI 0.8988
533 TCR 0.8988
534 CCV 0.8987
535 4YO 0.8987
536 2JK 0.8987
537 M5E 0.8987
538 2B4 0.8986
539 SBK 0.8986
540 S3C 0.8986
541 PHI 0.8985
542 NOK 0.8985
543 F16 0.8984
544 8WT 0.8984
545 INO 0.8984
546 CP6 0.8983
547 MYJ 0.8983
548 SLY 0.8982
549 TSR 0.8982
550 5V7 0.8981
551 1QP 0.8980
552 Q4G 0.8980
553 PRZ 0.8980
554 NNO 0.8979
555 BRH 0.8978
556 GNY 0.8978
557 1U7 0.8977
558 2FY 0.8977
559 JWS 0.8976
560 2HQ 0.8974
561 5E4 0.8973
562 5LA 0.8973
563 60Q 0.8972
564 SQV 0.8972
565 5TZ 0.8972
566 FBB 0.8972
567 GDE 0.8972
568 QX4 0.8971
569 A7W 0.8971
570 TGX 0.8971
571 2QC 0.8970
572 5RN 0.8970
573 0FO 0.8970
574 5GT 0.8970
575 0OK 0.8969
576 KJH 0.8969
577 OX2 0.8968
578 KDV 0.8967
579 Q04 0.8965
580 K25 0.8965
581 CWJ 0.8965
582 57O 0.8963
583 9TW 0.8963
584 256 0.8962
585 LUM 0.8962
586 7I2 0.8962
587 K2T 0.8961
588 P9P 0.8961
589 HCI 0.8960
590 GXD 0.8959
591 F4K 0.8959
592 HDH 0.8958
593 833 0.8957
594 6HP 0.8954
595 S98 0.8954
596 GVY 0.8954
597 4G2 0.8953
598 3C4 0.8953
599 H4E 0.8953
600 3IL 0.8953
601 JYB 0.8952
602 BBY 0.8951
603 JAW 0.8951
604 DI6 0.8950
605 L5D 0.8950
606 3C5 0.8949
607 N2I 0.8948
608 ICO 0.8948
609 3VS 0.8947
610 AM1 0.8943
611 9KH 0.8942
612 2WU 0.8942
613 TAG 0.8941
614 B56 0.8941
615 DNB 0.8941
616 BZQ 0.8940
617 MUA 0.8940
618 OBP 0.8939
619 PH3 0.8939
620 SNO 0.8939
621 NBG 0.8938
622 7ME 0.8938
623 4AA 0.8937
624 FB4 0.8937
625 MAJ 0.8937
626 SKF 0.8936
627 MS9 0.8935
628 KUF 0.8935
629 IQQ 0.8935
630 OQC 0.8935
631 KTA 0.8934
632 1M2 0.8934
633 DUR 0.8933
634 6J3 0.8932
635 SOV 0.8932
636 OMD 0.8932
637 N9J 0.8931
638 MRW 0.8931
639 DK1 0.8931
640 DNA 0.8931
641 SRO 0.8931
642 A7K 0.8930
643 5GU 0.8930
644 SHA 0.8930
645 JZA 0.8929
646 C0W 0.8929
647 5QX 0.8929
648 6NZ 0.8928
649 F06 0.8928
650 M45 0.8928
651 2BG 0.8928
652 SKM 0.8927
653 HPT 0.8926
654 EYV 0.8925
655 TYC 0.8924
656 LTT 0.8921
657 AMR 0.8921
658 IHB 0.8921
659 XIY 0.8920
660 XM5 0.8919
661 EA1 0.8918
662 1ZC 0.8918
663 SWX 0.8918
664 0QW 0.8917
665 ZEC 0.8917
666 GN6 0.8917
667 APZ 0.8917
668 5AD 0.8914
669 42R 0.8913
670 N1E 0.8913
671 1QV 0.8913
672 2GQ 0.8913
673 6DP 0.8912
674 ODO 0.8912
675 OTR 0.8912
676 PW1 0.8911
677 DHK 0.8911
678 67Y 0.8910
679 S1D 0.8910
680 2FX 0.8910
681 KLE 0.8909
682 7W1 0.8909
683 S0D 0.8909
684 ID8 0.8908
685 HQT 0.8908
686 79W 0.8907
687 AU8 0.8907
688 4GP 0.8904
689 6J5 0.8904
690 8GK 0.8904
691 HWD 0.8904
692 MUR 0.8904
693 P4L 0.8903
694 QSB 0.8903
695 NQH 0.8902
696 86J 0.8902
697 2JX 0.8901
698 FWD 0.8901
699 JAH 0.8900
700 GDL 0.8900
701 R9S 0.8900
702 GLC 0.8900
703 KW7 0.8898
704 A4T 0.8897
705 4TU 0.8896
706 QBK 0.8896
707 DNC 0.8895
708 8UY 0.8893
709 ES2 0.8893
710 BIO 0.8892
711 B40 0.8891
712 BQ2 0.8891
713 6ZX 0.8891
714 2PK 0.8890
715 HX8 0.8890
716 ZYQ 0.8890
717 AVX 0.8889
718 DHY 0.8889
719 HH6 0.8888
720 49N 0.8887
721 DIR 0.8885
722 HXY 0.8884
723 BZ3 0.8884
724 TLF 0.8883
725 IL5 0.8883
726 ASC 0.8882
727 CKA 0.8881
728 5AE 0.8880
729 D6G 0.8879
730 QME 0.8879
731 UFO 0.8879
732 LDP 0.8879
733 IQW 0.8878
734 ET2 0.8878
735 8CM 0.8876
736 1DR 0.8876
737 7WR 0.8876
738 2PV 0.8875
739 TYE 0.8875
740 5XC 0.8875
741 NCV 0.8875
742 H42 0.8875
743 VC3 0.8875
744 7L4 0.8874
745 LZ2 0.8874
746 Q0K 0.8874
747 4NR 0.8873
748 WUB 0.8873
749 SOJ 0.8872
750 PLP 0.8872
751 92O 0.8870
752 CWS 0.8870
753 F5C 0.8870
754 A9K 0.8869
755 LFQ 0.8869
756 25O 0.8869
757 COU 0.8869
758 TQU 0.8868
759 TCL 0.8868
760 SYV 0.8867
761 0P6 0.8867
762 2LT 0.8866
763 N2Y 0.8866
764 NDG 0.8866
765 URC 0.8866
766 ZYW 0.8864
767 B21 0.8864
768 NE1 0.8864
769 FUD 0.8864
770 791 0.8863
771 878 0.8862
772 OCH 0.8860
773 L21 0.8858
774 549 0.8858
775 8OZ 0.8858
776 PZ8 0.8857
777 G6P 0.8857
778 9F8 0.8857
779 A5P 0.8857
780 9H2 0.8856
781 JF1 0.8856
782 CR1 0.8855
783 CWD 0.8855
784 JMG 0.8855
785 293 0.8855
786 IOP 0.8854
787 JSX 0.8854
788 DQA 0.8853
789 5OB 0.8853
790 PHU 0.8853
791 XAZ 0.8853
792 NDH 0.8852
793 A4N 0.8851
794 0OY 0.8851
795 VBC 0.8849
796 ANN 0.8849
797 LT2 0.8849
798 3ID 0.8848
799 OCZ 0.8848
800 X8D 0.8847
801 FC2 0.8844
802 36M 0.8843
803 2J1 0.8843
804 GFE 0.8843
805 QMS 0.8843
806 ADN 0.8841
807 A7Q 0.8841
808 MEX 0.8841
809 JND 0.8841
810 1KN 0.8840
811 6BL 0.8840
812 AKD 0.8839
813 BHO 0.8839
814 TSS 0.8838
815 MP5 0.8837
816 4FP 0.8836
817 K48 0.8836
818 BWD 0.8834
819 E7Z 0.8834
820 AKG 0.8834
821 5NS 0.8833
822 BDP 0.8833
823 F1X 0.8832
824 03V 0.8832
825 AED 0.8831
826 2AK 0.8831
827 WSD 0.8831
828 ISZ 0.8830
829 4MP 0.8829
830 BA5 0.8829
831 LJ4 0.8828
832 XI7 0.8828
833 S0E 0.8827
834 8U3 0.8826
835 0UL 0.8826
836 BG6 0.8825
837 KKN 0.8825
838 Q71 0.8825
839 HSX 0.8824
840 I2E 0.8824
841 4SX 0.8824
842 9GP 0.8823
843 TJM 0.8823
844 4R1 0.8822
845 TIA 0.8822
846 28B 0.8822
847 NIR 0.8821
848 F9P 0.8819
849 FA1 0.8819
850 PNZ 0.8819
851 CTS 0.8819
852 K3Q 0.8818
853 FGZ 0.8817
854 M4T 0.8816
855 3D1 0.8816
856 ZIQ 0.8815
857 9CE 0.8815
858 HNT 0.8813
859 X0V 0.8812
860 AWE 0.8812
861 2BX 0.8811
862 4Z4 0.8811
863 K7H 0.8811
864 5WT 0.8811
865 ES5 0.8808
866 1A5 0.8807
867 2AQ 0.8806
868 80G 0.8805
869 CFI 0.8805
870 CLW 0.8804
871 6MW 0.8804
872 I5A 0.8804
873 GJZ 0.8803
874 PXL 0.8802
875 535 0.8802
876 PLR 0.8801
877 55D 0.8801
878 6ZW 0.8801
879 3WJ 0.8800
880 PMP 0.8800
881 LFN 0.8798
882 TTY 0.8797
883 MMJ 0.8797
884 BVA 0.8796
885 PAC 0.8796
886 463 0.8795
887 CTN 0.8795
888 CTL 0.8795
889 9BF 0.8794
890 36R 0.8794
891 5VM 0.8794
892 M2K 0.8794
893 NIZ 0.8793
894 GCU 0.8793
895 S0F 0.8792
896 K34 0.8792
897 L1T 0.8792
898 2KA 0.8792
899 S2G 0.8792
900 A6H 0.8791
901 D1G 0.8791
902 FER 0.8791
903 IWD 0.8789
904 AAN 0.8789
905 AH9 0.8789
906 3AE 0.8788
907 5VJ 0.8788
908 JB5 0.8787
909 2UZ 0.8787
910 OGA 0.8787
911 FNA 0.8786
912 XRS 0.8785
913 DMD 0.8785
914 URI 0.8785
915 S8D 0.8784
916 2LX 0.8783
917 4FS 0.8782
918 NID 0.8781
919 JF2 0.8781
920 NIY 0.8781
921 XQK 0.8780
922 QSH 0.8780
923 DE5 0.8779
924 RP3 0.8778
925 NRA 0.8778
926 8TX 0.8778
927 F40 0.8777
928 EVO 0.8776
929 EZN 0.8776
930 2AL 0.8776
931 1P8 0.8776
932 1ER 0.8773
933 HBI 0.8773
934 FBF 0.8772
935 DE3 0.8772
936 DBQ 0.8772
937 6SD 0.8772
938 ES7 0.8771
939 JRO 0.8771
940 LR8 0.8771
941 1SF 0.8770
942 C93 0.8770
943 5OO 0.8770
944 THM 0.8770
945 LIP 0.8770
946 RNO 0.8770
947 S2T 0.8770
948 I59 0.8769
949 JGB 0.8768
950 CHQ 0.8768
951 EKZ 0.8766
952 AJD 0.8766
953 GL7 0.8765
954 LAO 0.8765
955 U7E 0.8763
956 AEG 0.8763
957 Q06 0.8762
958 B55 0.8762
959 I3E 0.8762
960 GTC 0.8761
961 BNF 0.8761
962 OSB 0.8761
963 P81 0.8760
964 TU0 0.8759
965 BTM 0.8759
966 ZXD 0.8758
967 I1E 0.8757
968 DHZ 0.8757
969 787 0.8756
970 K32 0.8756
971 PRF 0.8756
972 R8V 0.8756
973 F12 0.8755
974 0FN 0.8754
975 Z70 0.8753
976 L46 0.8753
977 B86 0.8753
978 DEE 0.8753
979 3HA 0.8752
980 ABF 0.8751
981 CFF 0.8751
982 KCH 0.8750
983 WS6 0.8750
984 I6G 0.8750
985 FBM 0.8750
986 H7S 0.8749
987 P2L 0.8748
988 QPR 0.8748
989 NPA 0.8747
990 IFP 0.8746
991 H75 0.8745
992 IPD 0.8744
993 LDC 0.8743
994 5H6 0.8743
995 JF8 0.8743
996 75K 0.8742
997 NVU 0.8741
998 4XV 0.8740
999 EV2 0.8740
1000 SKA 0.8740
1001 9TF 0.8740
1002 VK3 0.8740
1003 GZQ 0.8739
1004 2HG 0.8739
1005 AP4 0.8739
1006 PBA 0.8738
1007 1FL 0.8737
1008 5B2 0.8736
1009 SOR 0.8735
1010 X04 0.8735
1011 FCW 0.8735
1012 P9E 0.8735
1013 LR5 0.8735
1014 MCY 0.8734
1015 F9Y 0.8734
1016 4NZ 0.8734
1017 PE0 0.8734
1018 K7M 0.8733
1019 AQO 0.8733
1020 3IT 0.8733
1021 NLA 0.8732
1022 OA1 0.8731
1023 VGD 0.8730
1024 5WV 0.8729
1025 U2Z 0.8728
1026 J9W 0.8728
1027 4XS 0.8728
1028 38B 0.8727
1029 26C 0.8727
1030 RXA 0.8727
1031 AVJ 0.8725
1032 GRO 0.8724
1033 2J2 0.8724
1034 FA3 0.8723
1035 UN1 0.8723
1036 5JQ 0.8723
1037 GLU 0.8721
1038 ISN 0.8721
1039 BHS 0.8721
1040 N8Z 0.8718
1041 6VD 0.8718
1042 GWM 0.8717
1043 K37 0.8716
1044 NE2 0.8716
1045 GLN 0.8715
1046 BTY 0.8714
1047 AJ2 0.8714
1048 LT8 0.8714
1049 A4B 0.8713
1050 3DT 0.8713
1051 FLV 0.8713
1052 PLP PMP 0.8712
1053 ZEA 0.8712
1054 5GV 0.8712
1055 DKZ 0.8711
1056 8XQ 0.8711
1057 N7I 0.8711
1058 4AU 0.8710
1059 HJ8 0.8710
1060 2D3 0.8710
1061 DBH 0.8709
1062 NTF 0.8708
1063 A4Q 0.8708
1064 PD2 0.8708
1065 M1Q 0.8708
1066 GTR 0.8707
1067 QMP 0.8705
1068 14W 0.8704
1069 3AD 0.8704
1070 QMR 0.8704
1071 S7J 0.8703
1072 NQ 0.8703
1073 LZ5 0.8703
1074 20J 0.8702
1075 5JL 0.8701
1076 B5D 0.8700
1077 PQ0 0.8700
1078 ADA 0.8699
1079 APG 0.8698
1080 ID2 0.8698
1081 MQB 0.8696
1082 7B3 0.8696
1083 2CL 0.8696
1084 TLM 0.8695
1085 E0O 0.8695
1086 XYP XDN 0.8694
1087 XDN XYP 0.8694
1088 JU2 0.8694
1089 B23 0.8694
1090 P9I 0.8693
1091 4FH 0.8693
1092 J47 0.8693
1093 CJB 0.8692
1094 M5K 0.8692
1095 3Z8 0.8692
1096 PVQ 0.8691
1097 226 0.8691
1098 PIR 0.8691
1099 8WZ 0.8691
1100 Q24 0.8690
1101 LTN 0.8690
1102 XYP XYP 0.8690
1103 9X5 0.8690
1104 5F1 0.8689
1105 RP5 0.8689
1106 EAJ 0.8689
1107 UKV 0.8688
1108 DKX 0.8687
1109 EF2 0.8686
1110 EMZ 0.8686
1111 SJK 0.8686
1112 Q77 0.8685
1113 M6P 0.8684
1114 3AL 0.8683
1115 UFV 0.8683
1116 ACE PHE 0.8680
1117 R9G 0.8679
1118 FYR 0.8677
1119 091 0.8675
1120 XDL XYP 0.8675
1121 XIL 0.8675
1122 6X9 0.8675
1123 PHH 0.8675
1124 DBS 0.8674
1125 JBZ 0.8674
1126 K22 0.8673
1127 M6N 0.8673
1128 4HP 0.8673
1129 2TU 0.8672
1130 7VF 0.8671
1131 GL2 0.8671
1132 QIC 0.8670
1133 4HC 0.8670
1134 MEW 0.8668
1135 BGP 0.8667
1136 SYR 0.8665
1137 EVA 0.8664
1138 PVK 0.8663
1139 5BT 0.8661
1140 PDC 0.8661
1141 GLP 0.8660
1142 774 0.8660
1143 JFS 0.8660
1144 4JT 0.8660
1145 9RW 0.8659
1146 0DN 0.8659
1147 JY4 0.8657
1148 GL5 0.8654
1149 DHR 0.8654
1150 CPW 0.8653
1151 TXQ 0.8653
1152 URO 0.8651
1153 BHA 0.8651
1154 URD 0.8651
1155 KG1 0.8651
1156 I4D 0.8650
1157 4AB 0.8650
1158 49P 0.8650
1159 ZZZ 0.8650
1160 CN0 0.8649
1161 4M0 0.8649
1162 R9J 0.8649
1163 A73 0.8649
1164 JPQ 0.8649
1165 H2B 0.8647
1166 FA0 0.8647
1167 8IG 0.8647
1168 DOB 0.8646
1169 258 0.8644
1170 SYA 0.8642
1171 HJ7 0.8642
1172 3QM 0.8640
1173 OUB 0.8640
1174 CTD 0.8639
1175 RIS 0.8638
1176 3F0 0.8638
1177 HNQ 0.8638
1178 5OF 0.8637
1179 HRD 0.8636
1180 HBD 0.8636
1181 Y4L 0.8635
1182 5P3 0.8635
1183 KWH 0.8635
1184 15Q 0.8634
1185 OA3 0.8634
1186 EUE 0.8634
1187 27M 0.8634
1188 GNJ 0.8633
1189 LP8 0.8632
1190 GV9 0.8632
1191 EV0 0.8632
1192 MNP 0.8631
1193 M3Q 0.8630
1194 HKD 0.8628
1195 G1P 0.8628
1196 PHB 0.8627
1197 3YQ 0.8627
1198 LVD 0.8626
1199 KT7 0.8626
1200 XQ0 0.8626
1201 CGW 0.8625
1202 5NE 0.8624
1203 LLT 0.8624
1204 P84 0.8623
1205 PRA 0.8622
1206 3DE 0.8621
1207 AZ8 0.8621
1208 PXP 0.8620
1209 37T 0.8620
1210 GI3 0.8619
1211 I3A 0.8617
1212 1V1 0.8617
1213 GLS 0.8616
1214 7MK 0.8614
1215 3HP 0.8613
1216 T9G 0.8612
1217 ELH 0.8611
1218 GLO 0.8607
1219 JA8 0.8607
1220 43U 0.8606
1221 6L6 0.8606
1222 SMN 0.8606
1223 3L1 0.8604
1224 E4P 0.8603
1225 5CU 0.8603
1226 OVM 0.8603
1227 PAB 0.8603
1228 MAQ 0.8602
1229 A2G 0.8601
1230 HHA 0.8600
1231 Q02 0.8600
1232 J27 0.8599
1233 IQ5 0.8598
1234 TYU 0.8596
1235 NGA 0.8593
1236 EAT 0.8590
1237 4CM 0.8590
1238 GCB 0.8590
1239 3M0 0.8589
1240 NPO 0.8588
1241 A3M 0.8587
1242 INE 0.8587
1243 5RP 0.8587
1244 Q03 0.8587
1245 K5W 0.8586
1246 CUH 0.8584
1247 PBZ 0.8583
1248 1AL 0.8580
1249 259 0.8580
1250 5WY 0.8580
1251 51Y 0.8579
1252 3SU 0.8578
1253 42C 0.8575
1254 Q6T 0.8575
1255 1X8 0.8573
1256 4VY 0.8572
1257 PQS 0.8571
1258 MR6 0.8570
1259 YE7 0.8570
1260 512 0.8568
1261 826 0.8568
1262 RQD 0.8567
1263 8GL 0.8566
1264 4NP 0.8566
1265 RKN 0.8565
1266 8HH 0.8564
1267 GAB 0.8564
1268 11X 0.8559
1269 CWM 0.8558
1270 PIQ 0.8557
1271 ZRL 0.8555
1272 6W6 0.8554
1273 PYQ 0.8554
1274 B60 0.8554
1275 B57 0.8552
1276 64C 0.8550
1277 3R6 0.8547
1278 AJG 0.8540
1279 CIY 0.8539
1280 TEP 0.8538
1281 JBK 0.8536
1282 Z21 0.8536
1283 KLK 0.8535
1284 AX7 0.8530
1285 BIE 0.8530
1286 TGW 0.8529
1287 1Y6 0.8525
1288 P72 0.8524
1289 QWN 0.8520
Ligand no: 2; Ligand: TBU; Similar ligands found: 66
No: Ligand Similarity coefficient
1 GB 1.0000
2 03S 1.0000
3 FUS 1.0000
4 FPO 1.0000
5 TMO 1.0000
6 2PA 1.0000
7 BF4 1.0000
8 PO4 1.0000
9 2HP 1.0000
10 ART 0.9907
11 PEJ 0.9813
12 9XN 0.9793
13 WO6 0.9754
14 TB0 0.9491
15 TAN 0.9490
16 ETF 0.9427
17 HSW 0.9406
18 LAC 0.9357
19 2A3 0.9324
20 BEF 0.9310
21 IPA 0.9294
22 2PO 0.9279
23 78T 0.9229
24 VSO 0.9226
25 MMQ 0.9185
26 8FH 0.9177
27 FAH 0.9166
28 1BP 0.9152
29 ACM 0.9103
30 GOA 0.9087
31 PYR 0.9081
32 F50 0.9074
33 PPI 0.9060
34 ACT 0.9023
35 GOL 0.9006
36 HVB 0.8994
37 NIE 0.8980
38 SEY 0.8978
39 AF3 0.8967
40 ALA 0.8960
41 J3K 0.8951
42 GXV 0.8939
43 GLY 0.8917
44 2OP 0.8899
45 ALQ 0.8874
46 F3V 0.8865
47 R3W 0.8852
48 HBS 0.8836
49 DAL 0.8834
50 AKR 0.8809
51 GLV 0.8803
52 KCS 0.8797
53 MCH 0.8797
54 HAE 0.8790
55 OXM 0.8788
56 TSZ 0.8787
57 HBR 0.8784
58 3ZS 0.8757
59 NHY 0.8710
60 AGU 0.8702
61 TAY 0.8701
62 2A1 0.8684
63 OXL 0.8681
64 HLT 0.8624
65 VN4 0.8534
66 PPF 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LGT; Ligand: BP3; 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: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1LGT; Ligand: BP3; 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: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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